data_15593 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of human protein C6orf130, a putative macro domain ; _BMRB_accession_number 15593 _BMRB_flat_file_name bmr15593.str _Entry_type original _Submission_date 2007-12-12 _Accession_date 2007-12-12 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Volkman B. F. . 2 Lytle B. L. . 3 Peterson F. C. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 861 "13C chemical shifts" 663 "15N chemical shifts" 164 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-06-16 update BMRB 'added time domain data' 2008-01-23 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of human C6orf130, a putative macro domain' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lytle B. L. . 2 Peterson F. C. . 3 Volkman B. F. . stop_ _Journal_abbreviation 'To be published' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name C6orf130 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label C6orf130 $C6orf130 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_C6orf130 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common C6orf130 _Molecular_mass 18050.891 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 160 _Mol_residue_sequence ; GHHHHHHLEASSLNEDPEGS RITYVKGDLFACPKTDSLAH CISEDCRMGAGIAVLFKKKF GGVQELLNQQKKSGEVAVLK RDGRYIYYLITKKRASHKPT YENLQKSLEAMKSHCLKNGV TDLSMPRIGCGLDRLQWENV SAMIEEVFEATDIKITVYTL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -7 GLY 2 -6 HIS 3 -5 HIS 4 -4 HIS 5 -3 HIS 6 -2 HIS 7 -1 HIS 8 0 LEU 9 1 GLU 10 2 ALA 11 3 SER 12 4 SER 13 5 LEU 14 6 ASN 15 7 GLU 16 8 ASP 17 9 PRO 18 10 GLU 19 11 GLY 20 12 SER 21 13 ARG 22 14 ILE 23 15 THR 24 16 TYR 25 17 VAL 26 18 LYS 27 19 GLY 28 20 ASP 29 21 LEU 30 22 PHE 31 23 ALA 32 24 CYS 33 25 PRO 34 26 LYS 35 27 THR 36 28 ASP 37 29 SER 38 30 LEU 39 31 ALA 40 32 HIS 41 33 CYS 42 34 ILE 43 35 SER 44 36 GLU 45 37 ASP 46 38 CYS 47 39 ARG 48 40 MET 49 41 GLY 50 42 ALA 51 43 GLY 52 44 ILE 53 45 ALA 54 46 VAL 55 47 LEU 56 48 PHE 57 49 LYS 58 50 LYS 59 51 LYS 60 52 PHE 61 53 GLY 62 54 GLY 63 55 VAL 64 56 GLN 65 57 GLU 66 58 LEU 67 59 LEU 68 60 ASN 69 61 GLN 70 62 GLN 71 63 LYS 72 64 LYS 73 65 SER 74 66 GLY 75 67 GLU 76 68 VAL 77 69 ALA 78 70 VAL 79 71 LEU 80 72 LYS 81 73 ARG 82 74 ASP 83 75 GLY 84 76 ARG 85 77 TYR 86 78 ILE 87 79 TYR 88 80 TYR 89 81 LEU 90 82 ILE 91 83 THR 92 84 LYS 93 85 LYS 94 86 ARG 95 87 ALA 96 88 SER 97 89 HIS 98 90 LYS 99 91 PRO 100 92 THR 101 93 TYR 102 94 GLU 103 95 ASN 104 96 LEU 105 97 GLN 106 98 LYS 107 99 SER 108 100 LEU 109 101 GLU 110 102 ALA 111 103 MET 112 104 LYS 113 105 SER 114 106 HIS 115 107 CYS 116 108 LEU 117 109 LYS 118 110 ASN 119 111 GLY 120 112 VAL 121 113 THR 122 114 ASP 123 115 LEU 124 116 SER 125 117 MET 126 118 PRO 127 119 ARG 128 120 ILE 129 121 GLY 130 122 CYS 131 123 GLY 132 124 LEU 133 125 ASP 134 126 ARG 135 127 LEU 136 128 GLN 137 129 TRP 138 130 GLU 139 131 ASN 140 132 VAL 141 133 SER 142 134 ALA 143 135 MET 144 136 ILE 145 137 GLU 146 138 GLU 147 139 VAL 148 140 PHE 149 141 GLU 150 142 ALA 151 143 THR 152 144 ASP 153 145 ILE 154 146 LYS 155 147 ILE 156 148 THR 157 149 VAL 158 150 TYR 159 151 THR 160 152 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 10164 "A1pp domain" 88.75 149 100.00 100.00 4.47e-100 BMRB 17421 C6orf130 94.38 151 99.34 99.34 1.46e-106 PDB 2EEE "Solution Structure Of The A1pp Domain From Human Protein C6orf130" 88.75 149 100.00 100.00 4.47e-100 PDB 2L8R "Solution Structure Of Human Protein C6orf130 In Complex With Adp- Ribose" 94.38 151 99.34 99.34 1.46e-106 PDB 2LGR "Solution Structure Of Human Protein C6orf130, A Putative Macro Domain" 100.00 160 100.00 100.00 5.73e-115 PDB 4J5Q "Targ1 (c6orf130), Terminal Adp-ribose Glycohydrolase 1, Apo Structure" 91.25 146 100.00 100.00 1.77e-103 PDB 4J5R "Targ1 (c6orf130), Terminal Adp-ribose Glycohydrolase 1 Bound To Adp- Hpd" 88.75 146 100.00 100.00 6.46e-100 PDB 4J5S "Targ1 (c6orf130), Terminal Adp-ribose Glycohydrolase 1 Adp-ribose Complex" 88.75 146 100.00 100.00 6.46e-100 DBJ BAF83628 "unnamed protein product [Homo sapiens]" 94.38 152 100.00 100.00 2.55e-107 DBJ BAG36161 "unnamed protein product [Homo sapiens]" 94.38 152 100.00 100.00 2.55e-107 GB AAH11709 "Chromosome 6 open reading frame 130 [Homo sapiens]" 94.38 152 100.00 100.00 2.55e-107 GB AIC53444 "C6orf130, partial [synthetic construct]" 94.38 152 100.00 100.00 2.55e-107 GB AIC58012 "C6orf130, partial [synthetic construct]" 94.38 152 98.68 99.34 3.78e-106 GB EAX04010 "chromosome 6 open reading frame 130, isoform CRA_a [Homo sapiens]" 50.00 86 100.00 100.00 2.86e-50 GB EAX04011 "chromosome 6 open reading frame 130, isoform CRA_b [Homo sapiens]" 94.38 152 100.00 100.00 2.55e-107 REF NP_001181654 "O-acetyl-ADP-ribose deacetylase C6orf130 homolog [Macaca mulatta]" 94.38 152 100.00 100.00 2.55e-107 REF NP_659500 "O-acetyl-ADP-ribose deacetylase 1 [Homo sapiens]" 94.38 152 100.00 100.00 2.55e-107 REF XP_001117219 "PREDICTED: uncharacterized protein C6orf130-like isoform 2 [Macaca mulatta]" 94.38 152 100.00 100.00 2.55e-107 REF XP_001117235 "PREDICTED: uncharacterized protein C6orf130-like isoform 3 [Macaca mulatta]" 94.38 152 100.00 100.00 2.55e-107 REF XP_001174030 "PREDICTED: O-acetyl-ADP-ribose deacetylase 1 [Pan troglodytes]" 94.38 152 100.00 100.00 2.55e-107 SP Q9Y530 "RecName: Full=O-acetyl-ADP-ribose deacetylase 1" 94.38 152 100.00 100.00 2.55e-107 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $C6orf130 Human 9606 Eukaryota Metazoa Homo sapiens 'BC011709.2, C6orf130' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $C6orf130 'cell free synthesis' . wheat "germ - cell free" . PEU-HIS stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Saveframe_category sample _Sample_type solution _Details '0.55 mM C6orf130 U-15N/13C, 20 mM BisTris, 200 mM sodium chloride, 2 mM DTT' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $C6orf130 0.55 mM '[U-100% 13C; U-100% 15N]' BisTris 20 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' DTT 2 mM 'natural abundance' D2O 7 % '[U-100% 2H]' H2O 93 % . stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.9.3 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2004 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_SPSCAN _Saveframe_category software _Name SPSCAN _Version 1.1.0 loop_ _Vendor _Address _Electronic_address Glaser . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_GARANT _Saveframe_category software _Name GARANT _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bartels, Guntert, Billeter and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_15N-separated_NOESY _Sample_label $sample save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_13C-separated_NOESY _Sample_label $sample save_ save_3D_13C-separated_NOESY_(AROMATIC)_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D_13C-separated_NOESY (AROMATIC)' _Sample_label $sample save_ save_NMR_spectrometer_expt_1 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_15N-separated_NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_13C-separated_NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D_13C-separated_NOESY (AROMATIC)' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 200 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 3D_15N-separated_NOESY 3D_13C-separated_NOESY '3D_13C-separated_NOESY (AROMATIC)' stop_ loop_ _Sample_label $sample stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name C6orf130 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 -3 5 HIS H H 8.395 0.02 1 2 -3 5 HIS CA C 56.570 0.15 1 3 -3 5 HIS N N 122.668 0.15 1 4 -2 6 HIS CA C 56.568 0.15 1 5 -1 7 HIS H H 8.394 0.02 1 6 -1 7 HIS HA H 4.644 0.02 1 7 -1 7 HIS HB3 H 3.168 0.02 2 8 -1 7 HIS C C 174.875 0.15 1 9 -1 7 HIS CA C 56.573 0.15 1 10 -1 7 HIS CB C 30.183 0.15 1 11 -1 7 HIS N N 122.718 0.15 1 12 0 8 LEU H H 8.330 0.02 1 13 0 8 LEU HA H 4.343 0.02 1 14 0 8 LEU HB3 H 1.596 0.02 2 15 0 8 LEU HD1 H 0.903 0.02 2 16 0 8 LEU HD2 H 0.856 0.02 2 17 0 8 LEU HG H 1.482 0.02 1 18 0 8 LEU C C 177.316 0.15 1 19 0 8 LEU CA C 55.557 0.15 1 20 0 8 LEU CB C 42.411 0.15 1 21 0 8 LEU CD1 C 25.035 0.15 1 22 0 8 LEU CD2 C 23.670 0.15 1 23 0 8 LEU CG C 27.106 0.15 1 24 0 8 LEU N N 123.671 0.15 1 25 1 9 GLU H H 8.432 0.02 1 26 1 9 GLU HA H 4.291 0.02 1 27 1 9 GLU HB2 H 1.966 0.02 2 28 1 9 GLU HB3 H 2.070 0.02 2 29 1 9 GLU HG3 H 2.321 0.02 2 30 1 9 GLU C C 176.475 0.15 1 31 1 9 GLU CA C 56.888 0.15 1 32 1 9 GLU CB C 30.583 0.15 1 33 1 9 GLU CG C 36.524 0.15 1 34 1 9 GLU N N 121.694 0.15 1 35 2 10 ALA H H 8.342 0.02 1 36 2 10 ALA HA H 4.345 0.02 1 37 2 10 ALA HB H 1.428 0.02 1 38 2 10 ALA C C 177.970 0.15 1 39 2 10 ALA CA C 53.344 0.15 1 40 2 10 ALA CB C 19.603 0.15 1 41 2 10 ALA N N 125.056 0.15 1 42 3 11 SER H H 8.281 0.02 1 43 3 11 SER HA H 4.480 0.02 1 44 3 11 SER HB3 H 3.922 0.02 2 45 3 11 SER C C 174.933 0.15 1 46 3 11 SER CA C 58.884 0.15 1 47 3 11 SER CB C 64.502 0.15 1 48 3 11 SER N N 114.689 0.15 1 49 4 12 SER H H 8.305 0.02 1 50 4 12 SER HA H 4.519 0.02 1 51 4 12 SER HB3 H 3.928 0.02 2 52 4 12 SER C C 174.595 0.15 1 53 4 12 SER CA C 58.847 0.15 1 54 4 12 SER CB C 64.502 0.15 1 55 4 12 SER N N 117.711 0.15 1 56 5 13 LEU H H 8.193 0.02 1 57 5 13 LEU HA H 4.360 0.02 1 58 5 13 LEU HB3 H 1.650 0.02 2 59 5 13 LEU HD1 H 0.922 0.02 2 60 5 13 LEU HD2 H 0.874 0.02 2 61 5 13 LEU HG H 1.632 0.02 1 62 5 13 LEU C C 177.156 0.15 1 63 5 13 LEU CA C 55.896 0.15 1 64 5 13 LEU CB C 42.408 0.15 1 65 5 13 LEU CD1 C 25.035 0.15 1 66 5 13 LEU CD2 C 23.687 0.15 1 67 5 13 LEU CG C 27.109 0.15 1 68 5 13 LEU N N 123.350 0.15 1 69 6 14 ASN H H 8.335 0.02 1 70 6 14 ASN HA H 4.734 0.02 1 71 6 14 ASN HB2 H 2.731 0.02 2 72 6 14 ASN HB3 H 2.857 0.02 2 73 6 14 ASN HD21 H 6.937 0.02 2 74 6 14 ASN HD22 H 7.620 0.02 2 75 6 14 ASN C C 174.990 0.15 1 76 6 14 ASN CA C 53.433 0.15 1 77 6 14 ASN CB C 39.310 0.15 1 78 6 14 ASN N N 118.870 0.15 1 79 6 14 ASN ND2 N 113.273 0.15 1 80 7 15 GLU H H 8.263 0.02 1 81 7 15 GLU HA H 4.340 0.02 1 82 7 15 GLU HB2 H 2.076 0.02 2 83 7 15 GLU HB3 H 1.904 0.02 2 84 7 15 GLU HG2 H 2.260 0.02 2 85 7 15 GLU C C 175.915 0.15 1 86 7 15 GLU CA C 56.607 0.15 1 87 7 15 GLU CB C 30.861 0.15 1 88 7 15 GLU CG C 36.546 0.15 1 89 7 15 GLU N N 120.939 0.15 1 90 8 16 ASP H H 8.392 0.02 1 91 8 16 ASP HA H 4.907 0.02 1 92 8 16 ASP HB2 H 2.544 0.02 2 93 8 16 ASP HB3 H 2.747 0.02 2 94 8 16 ASP C C 175.949 0.15 1 95 8 16 ASP CA C 52.775 0.15 1 96 8 16 ASP CB C 41.390 0.15 1 97 8 16 ASP N N 122.630 0.15 1 98 9 17 PRO HA H 4.458 0.02 1 99 9 17 PRO HB2 H 2.329 0.02 2 100 9 17 PRO HB3 H 2.002 0.02 2 101 9 17 PRO HD2 H 3.818 0.02 2 102 9 17 PRO HD3 H 3.865 0.02 2 103 9 17 PRO HG3 H 2.055 0.02 2 104 9 17 PRO C C 177.559 0.15 1 105 9 17 PRO CA C 63.826 0.15 1 106 9 17 PRO CB C 32.606 0.15 1 107 9 17 PRO CD C 50.841 0.15 1 108 9 17 PRO CG C 27.496 0.15 1 109 10 18 GLU H H 8.516 0.02 1 110 10 18 GLU HA H 4.315 0.02 1 111 10 18 GLU HB2 H 1.971 0.02 2 112 10 18 GLU HB3 H 2.134 0.02 2 113 10 18 GLU HG3 H 2.329 0.02 2 114 10 18 GLU C C 177.320 0.15 1 115 10 18 GLU CA C 57.214 0.15 1 116 10 18 GLU CB C 30.668 0.15 1 117 10 18 GLU CG C 36.644 0.15 1 118 10 18 GLU N N 120.335 0.15 1 119 11 19 GLY H H 8.278 0.02 1 120 11 19 GLY HA2 H 4.029 0.02 2 121 11 19 GLY HA3 H 4.022 0.02 2 122 11 19 GLY C C 174.027 0.15 1 123 11 19 GLY CA C 45.613 0.15 1 124 11 19 GLY N N 109.681 0.15 1 125 12 20 SER H H 8.194 0.02 1 126 12 20 SER HA H 4.612 0.02 1 127 12 20 SER HB2 H 3.896 0.02 2 128 12 20 SER HB3 H 3.982 0.02 2 129 12 20 SER C C 174.946 0.15 1 130 12 20 SER CA C 58.200 0.15 1 131 12 20 SER CB C 64.546 0.15 1 132 12 20 SER N N 115.461 0.15 1 133 13 21 ARG H H 9.280 0.02 1 134 13 21 ARG HA H 4.331 0.02 1 135 13 21 ARG HB2 H 2.063 0.02 2 136 13 21 ARG HB3 H 1.893 0.02 2 137 13 21 ARG HD2 H 3.056 0.02 2 138 13 21 ARG HD3 H 3.440 0.02 2 139 13 21 ARG HE H 7.668 0.02 1 140 13 21 ARG HG2 H 1.720 0.02 2 141 13 21 ARG HG3 H 1.606 0.02 2 142 13 21 ARG C C 175.594 0.15 1 143 13 21 ARG CA C 57.380 0.15 1 144 13 21 ARG CB C 30.060 0.15 1 145 13 21 ARG CD C 42.414 0.15 1 146 13 21 ARG CG C 26.674 0.15 1 147 13 21 ARG N N 125.932 0.15 1 148 13 21 ARG NE N 83.971 0.15 1 149 14 22 ILE H H 8.132 0.02 1 150 14 22 ILE HA H 4.617 0.02 1 151 14 22 ILE HB H 1.578 0.02 1 152 14 22 ILE HD1 H 0.926 0.02 1 153 14 22 ILE HG12 H 0.584 0.02 2 154 14 22 ILE HG13 H 1.546 0.02 2 155 14 22 ILE HG2 H 0.282 0.02 1 156 14 22 ILE C C 176.140 0.15 1 157 14 22 ILE CA C 61.436 0.15 1 158 14 22 ILE CB C 40.386 0.15 1 159 14 22 ILE CD1 C 14.376 0.15 1 160 14 22 ILE CG1 C 28.272 0.15 1 161 14 22 ILE CG2 C 17.892 0.15 1 162 14 22 ILE N N 118.956 0.15 1 163 15 23 THR H H 8.519 0.02 1 164 15 23 THR HA H 4.400 0.02 1 165 15 23 THR HB H 3.917 0.02 1 166 15 23 THR HG2 H 1.128 0.02 1 167 15 23 THR C C 171.943 0.15 1 168 15 23 THR CA C 62.164 0.15 1 169 15 23 THR CB C 70.984 0.15 1 170 15 23 THR CG2 C 21.603 0.15 1 171 15 23 THR N N 124.476 0.15 1 172 16 24 TYR H H 8.692 0.02 1 173 16 24 TYR HA H 5.147 0.02 1 174 16 24 TYR HB2 H 2.730 0.02 2 175 16 24 TYR HB3 H 2.877 0.02 2 176 16 24 TYR HD1 H 7.046 0.02 1 177 16 24 TYR HD2 H 7.046 0.02 1 178 16 24 TYR HE1 H 6.810 0.02 1 179 16 24 TYR HE2 H 6.810 0.02 1 180 16 24 TYR C C 176.057 0.15 1 181 16 24 TYR CA C 58.174 0.15 1 182 16 24 TYR CB C 40.206 0.15 1 183 16 24 TYR CD1 C 133.704 0.15 1 184 16 24 TYR CE1 C 117.390 0.15 1 185 16 24 TYR N N 124.109 0.15 1 186 17 25 VAL H H 8.668 0.02 1 187 17 25 VAL HA H 4.056 0.02 1 188 17 25 VAL HB H 0.806 0.02 1 189 17 25 VAL HG1 H 0.581 0.02 2 190 17 25 VAL HG2 H 0.386 0.02 2 191 17 25 VAL C C 174.180 0.15 1 192 17 25 VAL CA C 61.180 0.15 1 193 17 25 VAL CB C 35.554 0.15 1 194 17 25 VAL CG1 C 22.145 0.15 1 195 17 25 VAL CG2 C 21.783 0.15 1 196 17 25 VAL N N 123.957 0.15 1 197 18 26 LYS H H 8.329 0.02 1 198 18 26 LYS HA H 5.155 0.02 1 199 18 26 LYS HB2 H 1.832 0.02 2 200 18 26 LYS HB3 H 1.626 0.02 2 201 18 26 LYS HD3 H 1.682 0.02 2 202 18 26 LYS HE3 H 2.999 0.02 2 203 18 26 LYS HG2 H 1.431 0.02 2 204 18 26 LYS HG3 H 1.274 0.02 2 205 18 26 LYS C C 176.174 0.15 1 206 18 26 LYS CA C 54.559 0.15 1 207 18 26 LYS CB C 32.518 0.15 1 208 18 26 LYS CD C 29.669 0.15 1 209 18 26 LYS CE C 42.385 0.15 1 210 18 26 LYS CG C 25.046 0.15 1 211 18 26 LYS N N 128.011 0.15 1 212 19 27 GLY H H 8.509 0.02 1 213 19 27 GLY HA2 H 4.044 0.02 2 214 19 27 GLY HA3 H 4.226 0.02 2 215 19 27 GLY C C 171.128 0.15 1 216 19 27 GLY CA C 45.501 0.15 1 217 19 27 GLY N N 114.459 0.15 1 218 20 28 ASP H H 8.276 0.02 1 219 20 28 ASP HA H 4.417 0.02 1 220 20 28 ASP HB2 H 2.590 0.02 2 221 20 28 ASP HB3 H 2.688 0.02 2 222 20 28 ASP C C 176.258 0.15 1 223 20 28 ASP CA C 53.553 0.15 1 224 20 28 ASP CB C 42.347 0.15 1 225 20 28 ASP N N 119.563 0.15 1 226 21 29 LEU H H 8.279 0.02 1 227 21 29 LEU HA H 2.467 0.02 1 228 21 29 LEU HB2 H 1.147 0.02 2 229 21 29 LEU HB3 H 0.837 0.02 2 230 21 29 LEU HD1 H 0.487 0.02 2 231 21 29 LEU HD2 H 0.449 0.02 2 232 21 29 LEU HG H 0.564 0.02 1 233 21 29 LEU C C 175.833 0.15 1 234 21 29 LEU CA C 57.262 0.15 1 235 21 29 LEU CB C 43.309 0.15 1 236 21 29 LEU CD1 C 27.247 0.15 1 237 21 29 LEU CD2 C 24.940 0.15 1 238 21 29 LEU CG C 26.653 0.15 1 239 21 29 LEU N N 130.106 0.15 1 240 22 30 PHE H H 7.493 0.02 1 241 22 30 PHE HA H 3.950 0.02 1 242 22 30 PHE HB2 H 3.089 0.02 2 243 22 30 PHE HB3 H 2.819 0.02 2 244 22 30 PHE HD1 H 7.129 0.02 1 245 22 30 PHE HD2 H 7.129 0.02 1 246 22 30 PHE HE1 H 6.490 0.02 1 247 22 30 PHE HE2 H 6.490 0.02 1 248 22 30 PHE HZ H 5.957 0.02 1 249 22 30 PHE C C 175.970 0.15 1 250 22 30 PHE CA C 60.355 0.15 1 251 22 30 PHE CB C 37.150 0.15 1 252 22 30 PHE CD1 C 131.329 0.15 1 253 22 30 PHE CE1 C 131.014 0.15 1 254 22 30 PHE CZ C 129.057 0.15 1 255 22 30 PHE N N 109.893 0.15 1 256 23 31 ALA H H 7.765 0.02 1 257 23 31 ALA HA H 4.549 0.02 1 258 23 31 ALA HB H 1.483 0.02 1 259 23 31 ALA C C 176.933 0.15 1 260 23 31 ALA CA C 51.663 0.15 1 261 23 31 ALA CB C 18.875 0.15 1 262 23 31 ALA N N 123.588 0.15 1 263 24 32 CYS H H 7.252 0.02 1 264 24 32 CYS HA H 4.622 0.02 1 265 24 32 CYS HB2 H 2.618 0.02 2 266 24 32 CYS HB3 H 3.495 0.02 2 267 24 32 CYS C C 171.079 0.15 1 268 24 32 CYS CA C 57.463 0.15 1 269 24 32 CYS CB C 25.922 0.15 1 270 24 32 CYS N N 118.948 0.15 1 271 25 33 PRO HA H 4.405 0.02 1 272 25 33 PRO HB2 H 2.367 0.02 2 273 25 33 PRO HB3 H 1.844 0.02 2 274 25 33 PRO HD2 H 3.578 0.02 2 275 25 33 PRO HD3 H 3.773 0.02 2 276 25 33 PRO HG2 H 1.975 0.02 2 277 25 33 PRO HG3 H 2.144 0.02 2 278 25 33 PRO C C 178.716 0.15 1 279 25 33 PRO CA C 64.442 0.15 1 280 25 33 PRO CB C 32.051 0.15 1 281 25 33 PRO CD C 50.931 0.15 1 282 25 33 PRO CG C 28.548 0.15 1 283 26 34 LYS H H 8.769 0.02 1 284 26 34 LYS HA H 4.139 0.02 1 285 26 34 LYS HB3 H 1.959 0.02 2 286 26 34 LYS HD3 H 1.771 0.02 2 287 26 34 LYS HE3 H 3.070 0.02 2 288 26 34 LYS HG2 H 1.566 0.02 2 289 26 34 LYS HG3 H 1.629 0.02 2 290 26 34 LYS C C 175.862 0.15 1 291 26 34 LYS CA C 59.076 0.15 1 292 26 34 LYS CB C 32.543 0.15 1 293 26 34 LYS CD C 29.558 0.15 1 294 26 34 LYS CE C 41.956 0.15 1 295 26 34 LYS CG C 25.035 0.15 1 296 26 34 LYS N N 122.929 0.15 1 297 27 35 THR H H 7.121 0.02 1 298 27 35 THR HA H 4.186 0.02 1 299 27 35 THR HB H 4.555 0.02 1 300 27 35 THR HG2 H 1.264 0.02 1 301 27 35 THR C C 176.321 0.15 1 302 27 35 THR CA C 61.403 0.15 1 303 27 35 THR CB C 68.912 0.15 1 304 27 35 THR CG2 C 22.310 0.15 1 305 27 35 THR N N 102.849 0.15 1 306 28 36 ASP H H 7.799 0.02 1 307 28 36 ASP HA H 4.569 0.02 1 308 28 36 ASP HB2 H 2.939 0.02 2 309 28 36 ASP HB3 H 2.668 0.02 2 310 28 36 ASP C C 177.811 0.15 1 311 28 36 ASP CA C 55.358 0.15 1 312 28 36 ASP CB C 40.707 0.15 1 313 28 36 ASP N N 125.463 0.15 1 314 29 37 SER H H 8.483 0.02 1 315 29 37 SER HA H 5.154 0.02 1 316 29 37 SER HB2 H 4.109 0.02 2 317 29 37 SER HB3 H 4.416 0.02 2 318 29 37 SER HG H 6.412 0.02 1 319 29 37 SER C C 172.586 0.15 1 320 29 37 SER CA C 61.788 0.15 1 321 29 37 SER CB C 65.485 0.15 1 322 29 37 SER N N 118.551 0.15 1 323 30 38 LEU H H 8.546 0.02 1 324 30 38 LEU HA H 6.012 0.02 1 325 30 38 LEU HB2 H 1.784 0.02 2 326 30 38 LEU HB3 H 1.577 0.02 2 327 30 38 LEU HD1 H 0.770 0.02 2 328 30 38 LEU HD2 H 0.754 0.02 2 329 30 38 LEU HG H 1.553 0.02 1 330 30 38 LEU C C 176.238 0.15 1 331 30 38 LEU CA C 54.396 0.15 1 332 30 38 LEU CB C 48.860 0.15 1 333 30 38 LEU CD1 C 26.329 0.15 1 334 30 38 LEU CD2 C 26.011 0.15 1 335 30 38 LEU CG C 28.202 0.15 1 336 30 38 LEU N N 122.056 0.15 1 337 31 39 ALA H H 8.087 0.02 1 338 31 39 ALA HA H 5.866 0.02 1 339 31 39 ALA HB H 1.412 0.02 1 340 31 39 ALA C C 174.589 0.15 1 341 31 39 ALA CA C 51.289 0.15 1 342 31 39 ALA CB C 24.898 0.15 1 343 31 39 ALA N N 119.387 0.15 1 344 32 40 HIS H H 8.061 0.02 1 345 32 40 HIS HA H 4.586 0.02 1 346 32 40 HIS HB3 H 2.972 0.02 2 347 32 40 HIS HD2 H 6.822 0.02 1 348 32 40 HIS C C 172.631 0.15 1 349 32 40 HIS CA C 56.240 0.15 1 350 32 40 HIS CB C 31.653 0.15 1 351 32 40 HIS N N 111.592 0.15 1 352 33 41 CYS H H 8.203 0.02 1 353 33 41 CYS HA H 5.519 0.02 1 354 33 41 CYS HB3 H 3.052 0.02 2 355 33 41 CYS C C 175.195 0.15 1 356 33 41 CYS CA C 57.950 0.15 1 357 33 41 CYS CB C 30.720 0.15 1 358 33 41 CYS N N 116.357 0.15 1 359 34 42 ILE H H 9.217 0.02 1 360 34 42 ILE HA H 4.835 0.02 1 361 34 42 ILE HB H 2.283 0.02 1 362 34 42 ILE HD1 H 1.030 0.02 1 363 34 42 ILE HG12 H 0.484 0.02 2 364 34 42 ILE HG13 H 1.292 0.02 2 365 34 42 ILE HG2 H 0.743 0.02 1 366 34 42 ILE C C 173.446 0.15 1 367 34 42 ILE CA C 60.568 0.15 1 368 34 42 ILE CB C 43.647 0.15 1 369 34 42 ILE CD1 C 16.642 0.15 1 370 34 42 ILE CG1 C 26.977 0.15 1 371 34 42 ILE CG2 C 20.334 0.15 1 372 34 42 ILE N N 117.384 0.15 1 373 35 43 SER H H 7.890 0.02 1 374 35 43 SER HA H 5.168 0.02 1 375 35 43 SER HB2 H 3.630 0.02 2 376 35 43 SER HB3 H 3.314 0.02 2 377 35 43 SER HG H 2.889 0.02 1 378 35 43 SER C C 176.169 0.15 1 379 35 43 SER CA C 56.090 0.15 1 380 35 43 SER CB C 66.599 0.15 1 381 35 43 SER N N 111.967 0.15 1 382 36 44 GLU H H 8.227 0.02 1 383 36 44 GLU HA H 3.791 0.02 1 384 36 44 GLU HB2 H 2.371 0.02 2 385 36 44 GLU HB3 H 2.207 0.02 2 386 36 44 GLU HG3 H 2.502 0.02 2 387 36 44 GLU C C 177.608 0.15 1 388 36 44 GLU CA C 59.795 0.15 1 389 36 44 GLU CB C 30.849 0.15 1 390 36 44 GLU CG C 37.854 0.15 1 391 36 44 GLU N N 118.743 0.15 1 392 37 45 ASP H H 7.523 0.02 1 393 37 45 ASP HA H 4.374 0.02 1 394 37 45 ASP HB2 H 2.903 0.02 2 395 37 45 ASP HB3 H 2.714 0.02 2 396 37 45 ASP C C 176.017 0.15 1 397 37 45 ASP CA C 54.682 0.15 1 398 37 45 ASP CB C 40.748 0.15 1 399 37 45 ASP N N 113.724 0.15 1 400 38 46 CYS H H 8.341 0.02 1 401 38 46 CYS HA H 3.798 0.02 1 402 38 46 CYS HB2 H 3.055 0.02 2 403 38 46 CYS HB3 H 2.825 0.02 2 404 38 46 CYS C C 173.525 0.15 1 405 38 46 CYS CA C 61.685 0.15 1 406 38 46 CYS CB C 26.075 0.15 1 407 38 46 CYS N N 112.101 0.15 1 408 39 47 ARG H H 7.504 0.02 1 409 39 47 ARG HA H 4.032 0.02 1 410 39 47 ARG HB2 H 1.744 0.02 2 411 39 47 ARG HB3 H 1.799 0.02 2 412 39 47 ARG HD3 H 3.187 0.02 2 413 39 47 ARG HG2 H 1.509 0.02 2 414 39 47 ARG HG3 H 1.589 0.02 2 415 39 47 ARG C C 177.344 0.15 1 416 39 47 ARG CA C 58.506 0.15 1 417 39 47 ARG CB C 30.648 0.15 1 418 39 47 ARG CD C 43.275 0.15 1 419 39 47 ARG CG C 27.624 0.15 1 420 39 47 ARG N N 117.679 0.15 1 421 40 48 MET H H 8.929 0.02 1 422 40 48 MET HA H 4.059 0.02 1 423 40 48 MET HB3 H 1.808 0.02 2 424 40 48 MET HE H 2.147 0.02 1 425 40 48 MET HG3 H 2.355 0.02 2 426 40 48 MET C C 177.398 0.15 1 427 40 48 MET CA C 56.438 0.15 1 428 40 48 MET CE C 18.446 0.15 1 429 40 48 MET CG C 36.589 0.15 1 430 40 48 MET N N 112.732 0.15 1 431 41 49 GLY H H 8.193 0.02 1 432 41 49 GLY HA2 H 4.248 0.02 2 433 41 49 GLY HA3 H 3.633 0.02 2 434 41 49 GLY C C 174.005 0.15 1 435 41 49 GLY CA C 45.897 0.15 1 436 41 49 GLY N N 103.343 0.15 1 437 42 50 ALA H H 7.724 0.02 1 438 42 50 ALA HA H 4.717 0.02 1 439 42 50 ALA HB H 1.449 0.02 1 440 42 50 ALA C C 176.963 0.15 1 441 42 50 ALA CA C 51.475 0.15 1 442 42 50 ALA CB C 22.999 0.15 1 443 42 50 ALA N N 122.140 0.15 1 444 43 51 GLY H H 8.725 0.02 1 445 43 51 GLY HA2 H 3.983 0.02 2 446 43 51 GLY HA3 H 4.238 0.02 2 447 43 51 GLY C C 175.891 0.15 1 448 43 51 GLY CA C 46.195 0.15 1 449 43 51 GLY N N 107.334 0.15 1 450 44 52 ILE H H 8.895 0.02 1 451 44 52 ILE HA H 4.350 0.02 1 452 44 52 ILE HB H 2.198 0.02 1 453 44 52 ILE HD1 H 1.117 0.02 1 454 44 52 ILE HG12 H 1.993 0.02 2 455 44 52 ILE HG13 H 1.764 0.02 2 456 44 52 ILE HG2 H 1.278 0.02 1 457 44 52 ILE C C 177.403 0.15 1 458 44 52 ILE CA C 63.754 0.15 1 459 44 52 ILE CB C 39.272 0.15 1 460 44 52 ILE CD1 C 15.024 0.15 1 461 44 52 ILE CG1 C 30.763 0.15 1 462 44 52 ILE CG2 C 17.613 0.15 1 463 44 52 ILE N N 125.573 0.15 1 464 45 53 ALA H H 8.627 0.02 1 465 45 53 ALA HA H 4.416 0.02 1 466 45 53 ALA HB H 1.805 0.02 1 467 45 53 ALA C C 179.299 0.15 1 468 45 53 ALA CA C 55.969 0.15 1 469 45 53 ALA CB C 18.405 0.15 1 470 45 53 ALA N N 124.938 0.15 1 471 46 54 VAL H H 7.384 0.02 1 472 46 54 VAL HA H 3.865 0.02 1 473 46 54 VAL HB H 1.984 0.02 1 474 46 54 VAL HG1 H 0.995 0.02 2 475 46 54 VAL HG2 H 1.018 0.02 2 476 46 54 VAL C C 178.377 0.15 1 477 46 54 VAL CA C 66.178 0.15 1 478 46 54 VAL CB C 32.413 0.15 1 479 46 54 VAL CG1 C 21.174 0.15 1 480 46 54 VAL CG2 C 22.421 0.15 1 481 46 54 VAL N N 116.133 0.15 1 482 47 55 LEU H H 7.380 0.02 1 483 47 55 LEU HA H 3.999 0.02 1 484 47 55 LEU HB2 H 0.956 0.02 2 485 47 55 LEU HB3 H 2.088 0.02 2 486 47 55 LEU HD1 H 0.761 0.02 2 487 47 55 LEU HD2 H 0.982 0.02 2 488 47 55 LEU HG H 1.697 0.02 1 489 47 55 LEU C C 180.086 0.15 1 490 47 55 LEU CA C 57.929 0.15 1 491 47 55 LEU CB C 41.681 0.15 1 492 47 55 LEU CD1 C 23.092 0.15 1 493 47 55 LEU CD2 C 25.682 0.15 1 494 47 55 LEU CG C 27.948 0.15 1 495 47 55 LEU N N 119.896 0.15 1 496 48 56 PHE H H 7.776 0.02 1 497 48 56 PHE HA H 4.032 0.02 1 498 48 56 PHE HB2 H 3.332 0.02 2 499 48 56 PHE HB3 H 2.949 0.02 2 500 48 56 PHE HD1 H 7.067 0.02 1 501 48 56 PHE HD2 H 7.067 0.02 1 502 48 56 PHE HE1 H 6.819 0.02 1 503 48 56 PHE HE2 H 6.819 0.02 1 504 48 56 PHE C C 180.597 0.15 1 505 48 56 PHE CA C 63.231 0.15 1 506 48 56 PHE CB C 39.839 0.15 1 507 48 56 PHE CD1 C 131.532 0.15 1 508 48 56 PHE CE1 C 131.340 0.15 1 509 48 56 PHE N N 118.505 0.15 1 510 49 57 LYS H H 8.816 0.02 1 511 49 57 LYS HA H 4.207 0.02 1 512 49 57 LYS HB3 H 2.299 0.02 2 513 49 57 LYS HD2 H 1.972 0.02 2 514 49 57 LYS HD3 H 1.796 0.02 2 515 49 57 LYS HE2 H 3.057 0.02 2 516 49 57 LYS HE3 H 3.209 0.02 2 517 49 57 LYS HG3 H 1.444 0.02 2 518 49 57 LYS C C 179.324 0.15 1 519 49 57 LYS CA C 61.172 0.15 1 520 49 57 LYS CB C 32.053 0.15 1 521 49 57 LYS CD C 29.890 0.15 1 522 49 57 LYS CE C 42.191 0.15 1 523 49 57 LYS CG C 25.358 0.15 1 524 49 57 LYS N N 124.759 0.15 1 525 50 58 LYS H H 8.193 0.02 1 526 50 58 LYS HA H 3.977 0.02 1 527 50 58 LYS HB2 H 1.777 0.02 2 528 50 58 LYS HB3 H 1.808 0.02 2 529 50 58 LYS HD3 H 1.605 0.02 2 530 50 58 LYS HE3 H 2.918 0.02 2 531 50 58 LYS HG2 H 1.404 0.02 2 532 50 58 LYS HG3 H 1.574 0.02 2 533 50 58 LYS C C 178.288 0.15 1 534 50 58 LYS CA C 59.815 0.15 1 535 50 58 LYS CB C 33.411 0.15 1 536 50 58 LYS CD C 29.514 0.15 1 537 50 58 LYS CE C 42.191 0.15 1 538 50 58 LYS CG C 25.399 0.15 1 539 50 58 LYS N N 119.385 0.15 1 540 51 59 LYS H H 7.990 0.02 1 541 51 59 LYS HA H 3.729 0.02 1 542 51 59 LYS HB2 H 0.459 0.02 2 543 51 59 LYS HB3 H 0.775 0.02 2 544 51 59 LYS HD2 H 0.520 0.02 2 545 51 59 LYS HD3 H 0.730 0.02 2 546 51 59 LYS HE2 H 2.155 0.02 2 547 51 59 LYS HE3 H 2.255 0.02 2 548 51 59 LYS HG2 H 0.526 0.02 2 549 51 59 LYS HG3 H 0.588 0.02 2 550 51 59 LYS C C 178.325 0.15 1 551 51 59 LYS CA C 59.105 0.15 1 552 51 59 LYS CB C 32.799 0.15 1 553 51 59 LYS CD C 28.595 0.15 1 554 51 59 LYS CE C 41.867 0.15 1 555 51 59 LYS CG C 25.035 0.15 1 556 51 59 LYS N N 116.125 0.15 1 557 52 60 PHE H H 7.698 0.02 1 558 52 60 PHE HA H 5.058 0.02 1 559 52 60 PHE HB2 H 3.250 0.02 2 560 52 60 PHE HB3 H 3.088 0.02 2 561 52 60 PHE HD1 H 7.362 0.02 1 562 52 60 PHE HD2 H 7.362 0.02 1 563 52 60 PHE HE1 H 7.082 0.02 1 564 52 60 PHE HE2 H 7.082 0.02 1 565 52 60 PHE C C 176.386 0.15 1 566 52 60 PHE CA C 57.226 0.15 1 567 52 60 PHE CB C 41.018 0.15 1 568 52 60 PHE CD1 C 131.952 0.15 1 569 52 60 PHE CE1 C 131.532 0.15 1 570 52 60 PHE N N 112.751 0.15 1 571 53 61 GLY H H 7.863 0.02 1 572 53 61 GLY HA2 H 4.006 0.02 2 573 53 61 GLY C C 174.444 0.15 1 574 53 61 GLY CA C 46.929 0.15 1 575 53 61 GLY N N 108.712 0.15 1 576 54 62 GLY H H 8.604 0.02 1 577 54 62 GLY HA2 H 4.026 0.02 2 578 54 62 GLY C C 174.790 0.15 1 579 54 62 GLY CA C 46.970 0.15 1 580 54 62 GLY N N 109.121 0.15 1 581 55 63 VAL H H 7.987 0.02 1 582 55 63 VAL HA H 3.374 0.02 1 583 55 63 VAL HB H 2.059 0.02 1 584 55 63 VAL HG1 H 1.032 0.02 2 585 55 63 VAL HG2 H 0.969 0.02 2 586 55 63 VAL C C 177.710 0.15 1 587 55 63 VAL CA C 68.263 0.15 1 588 55 63 VAL CB C 31.568 0.15 1 589 55 63 VAL CG1 C 23.416 0.15 1 590 55 63 VAL CG2 C 21.594 0.15 1 591 55 63 VAL N N 119.112 0.15 1 592 56 64 GLN H H 8.515 0.02 1 593 56 64 GLN HA H 3.984 0.02 1 594 56 64 GLN HB2 H 2.080 0.02 2 595 56 64 GLN HB3 H 2.115 0.02 2 596 56 64 GLN HE21 H 7.020 0.02 2 597 56 64 GLN HE22 H 7.516 0.02 2 598 56 64 GLN HG3 H 2.432 0.02 2 599 56 64 GLN C C 178.120 0.15 1 600 56 64 GLN CA C 59.181 0.15 1 601 56 64 GLN CB C 28.427 0.15 1 602 56 64 GLN CG C 34.568 0.15 1 603 56 64 GLN N N 116.942 0.15 1 604 56 64 GLN NE2 N 114.761 0.15 1 605 57 65 GLU H H 7.544 0.02 1 606 57 65 GLU HA H 4.027 0.02 1 607 57 65 GLU HB2 H 2.233 0.02 2 608 57 65 GLU HB3 H 2.051 0.02 2 609 57 65 GLU HG2 H 2.351 0.02 2 610 57 65 GLU HG3 H 2.294 0.02 2 611 57 65 GLU C C 60.016 0.15 1 612 57 65 GLU CA C 59.892 0.15 1 613 57 65 GLU CB C 29.591 0.15 1 614 57 65 GLU CG C 37.430 0.15 1 615 57 65 GLU N N 119.734 0.15 1 616 58 66 LEU H H 8.447 0.02 1 617 58 66 LEU HA H 3.910 0.02 1 618 58 66 LEU HB2 H 2.062 0.02 2 619 58 66 LEU HB3 H 1.091 0.02 2 620 58 66 LEU HD1 H 0.104 0.02 2 621 58 66 LEU HD2 H 0.030 0.02 2 622 58 66 LEU HG H 1.504 0.02 1 623 58 66 LEU C C 181.020 0.15 1 624 58 66 LEU CA C 58.211 0.15 1 625 58 66 LEU CB C 42.628 0.15 1 626 58 66 LEU CD1 C 25.682 0.15 1 627 58 66 LEU CD2 C 23.416 0.15 1 628 58 66 LEU CG C 25.777 0.15 1 629 58 66 LEU N N 121.272 0.15 1 630 59 67 LEU H H 8.674 0.02 1 631 59 67 LEU HA H 4.015 0.02 1 632 59 67 LEU HB2 H 1.922 0.02 2 633 59 67 LEU HB3 H 1.455 0.02 2 634 59 67 LEU HD1 H 0.912 0.02 2 635 59 67 LEU HD2 H 0.855 0.02 2 636 59 67 LEU HG H 1.748 0.02 1 637 59 67 LEU C C 181.323 0.15 1 638 59 67 LEU CA C 58.557 0.15 1 639 59 67 LEU CB C 42.514 0.15 1 640 59 67 LEU CD1 C 23.092 0.15 1 641 59 67 LEU CD2 C 26.329 0.15 1 642 59 67 LEU CG C 27.300 0.15 1 643 59 67 LEU N N 123.673 0.15 1 644 60 68 ASN H H 8.333 0.02 1 645 60 68 ASN HA H 4.603 0.02 1 646 60 68 ASN HB3 H 2.971 0.02 2 647 60 68 ASN HD21 H 6.986 0.02 2 648 60 68 ASN HD22 H 7.669 0.02 2 649 60 68 ASN C C 176.936 0.15 1 650 60 68 ASN CA C 54.749 0.15 1 651 60 68 ASN CB C 38.492 0.15 1 652 60 68 ASN N N 117.014 0.15 1 653 60 68 ASN ND2 N 111.019 0.15 1 654 61 69 GLN H H 7.691 0.02 1 655 61 69 GLN HA H 4.216 0.02 1 656 61 69 GLN HB2 H 2.160 0.02 2 657 61 69 GLN HB3 H 2.291 0.02 2 658 61 69 GLN HE21 H 6.731 0.02 2 659 61 69 GLN HE22 H 7.670 0.02 2 660 61 69 GLN HG2 H 2.514 0.02 2 661 61 69 GLN HG3 H 2.971 0.02 2 662 61 69 GLN C C 175.973 0.15 1 663 61 69 GLN CA C 58.522 0.15 1 664 61 69 GLN CB C 28.932 0.15 1 665 61 69 GLN CG C 35.183 0.15 1 666 61 69 GLN N N 118.336 0.15 1 667 61 69 GLN NE2 N 111.114 0.15 1 668 62 70 GLN H H 7.835 0.02 1 669 62 70 GLN HA H 4.041 0.02 1 670 62 70 GLN HB2 H 2.120 0.02 2 671 62 70 GLN HB3 H 2.233 0.02 2 672 62 70 GLN HE21 H 6.820 0.02 2 673 62 70 GLN HE22 H 7.475 0.02 2 674 62 70 GLN HG3 H 2.357 0.02 2 675 62 70 GLN C C 175.196 0.15 1 676 62 70 GLN CA C 57.134 0.15 1 677 62 70 GLN CB C 27.279 0.15 1 678 62 70 GLN CG C 34.567 0.15 1 679 62 70 GLN N N 114.255 0.15 1 680 62 70 GLN NE2 N 112.217 0.15 1 681 63 71 LYS H H 9.138 0.02 1 682 63 71 LYS HA H 4.479 0.02 1 683 63 71 LYS HB2 H 1.575 0.02 2 684 63 71 LYS HB3 H 1.966 0.02 2 685 63 71 LYS HD2 H 1.614 0.02 2 686 63 71 LYS HD3 H 1.755 0.02 2 687 63 71 LYS HE2 H 3.137 0.02 2 688 63 71 LYS HE3 H 3.333 0.02 2 689 63 71 LYS HG2 H 1.335 0.02 2 690 63 71 LYS HG3 H 1.404 0.02 2 691 63 71 LYS C C 177.034 0.15 1 692 63 71 LYS CA C 54.504 0.15 1 693 63 71 LYS CB C 32.937 0.15 1 694 63 71 LYS CD C 28.272 0.15 1 695 63 71 LYS CE C 42.838 0.15 1 696 63 71 LYS CG C 24.063 0.15 1 697 63 71 LYS N N 118.648 0.15 1 698 64 72 LYS H H 9.061 0.02 1 699 64 72 LYS HA H 4.542 0.02 1 700 64 72 LYS HB2 H 1.626 0.02 2 701 64 72 LYS HB3 H 1.858 0.02 2 702 64 72 LYS HD3 H 1.623 0.02 2 703 64 72 LYS HE3 H 3.020 0.02 2 704 64 72 LYS HG3 H 1.409 0.02 2 705 64 72 LYS C C 175.215 0.15 1 706 64 72 LYS CA C 53.990 0.15 1 707 64 72 LYS CB C 35.937 0.15 1 708 64 72 LYS CD C 29.243 0.15 1 709 64 72 LYS CE C 42.366 0.15 1 710 64 72 LYS CG C 24.832 0.15 1 711 64 72 LYS N N 121.903 0.15 1 712 65 73 SER H H 8.557 0.02 1 713 65 73 SER HA H 3.971 0.02 1 714 65 73 SER HB2 H 3.643 0.02 2 715 65 73 SER HB3 H 3.363 0.02 2 716 65 73 SER C C 175.804 0.15 1 717 65 73 SER CA C 61.215 0.15 1 718 65 73 SER CB C 64.937 0.15 1 719 65 73 SER N N 114.279 0.15 1 720 66 74 GLY H H 9.317 0.02 1 721 66 74 GLY HA2 H 4.210 0.02 2 722 66 74 GLY C C 172.625 0.15 1 723 66 74 GLY CA C 45.218 0.15 1 724 66 74 GLY N N 111.875 0.15 1 725 67 75 GLU H H 7.941 0.02 1 726 67 75 GLU HA H 4.573 0.02 1 727 67 75 GLU HB2 H 2.598 0.02 2 728 67 75 GLU HB3 H 2.278 0.02 2 729 67 75 GLU HG3 H 2.074 0.02 2 730 67 75 GLU C C 174.707 0.15 1 731 67 75 GLU CA C 54.409 0.15 1 732 67 75 GLU CB C 32.655 0.15 1 733 67 75 GLU CG C 37.659 0.15 1 734 67 75 GLU N N 117.413 0.15 1 735 68 76 VAL H H 8.323 0.02 1 736 68 76 VAL HA H 5.191 0.02 1 737 68 76 VAL HB H 1.966 0.02 1 738 68 76 VAL HG1 H 0.845 0.02 2 739 68 76 VAL HG2 H 1.104 0.02 2 740 68 76 VAL C C 172.250 0.15 1 741 68 76 VAL CA C 59.904 0.15 1 742 68 76 VAL CB C 36.058 0.15 1 743 68 76 VAL CG1 C 20.355 0.15 1 744 68 76 VAL CG2 C 24.918 0.15 1 745 68 76 VAL N N 118.082 0.15 1 746 69 77 ALA H H 8.903 0.02 1 747 69 77 ALA HA H 4.918 0.02 1 748 69 77 ALA HB H 1.288 0.02 1 749 69 77 ALA C C 176.137 0.15 1 750 69 77 ALA CA C 50.748 0.15 1 751 69 77 ALA CB C 21.620 0.15 1 752 69 77 ALA N N 130.870 0.15 1 753 70 78 VAL H H 8.624 0.02 1 754 70 78 VAL HA H 5.274 0.02 1 755 70 78 VAL HB H 1.699 0.02 1 756 70 78 VAL HG1 H 0.540 0.02 2 757 70 78 VAL HG2 H 0.563 0.02 2 758 70 78 VAL C C 176.384 0.15 1 759 70 78 VAL CA C 61.564 0.15 1 760 70 78 VAL CB C 36.519 0.15 1 761 70 78 VAL CG1 C 21.888 0.15 1 762 70 78 VAL CG2 C 21.888 0.15 1 763 70 78 VAL N N 119.606 0.15 1 764 71 79 LEU H H 9.037 0.02 1 765 71 79 LEU HA H 4.850 0.02 1 766 71 79 LEU HB2 H 1.687 0.02 2 767 71 79 LEU HB3 H 1.310 0.02 2 768 71 79 LEU HD1 H 0.873 0.02 2 769 71 79 LEU HD2 H 0.905 0.02 2 770 71 79 LEU HG H 1.516 0.02 1 771 71 79 LEU C C 174.916 0.15 1 772 71 79 LEU CA C 53.672 0.15 1 773 71 79 LEU CB C 46.723 0.15 1 774 71 79 LEU CD1 C 23.254 0.15 1 775 71 79 LEU CD2 C 26.006 0.15 1 776 71 79 LEU CG C 27.300 0.15 1 777 71 79 LEU N N 126.524 0.15 1 778 72 80 LYS H H 8.748 0.02 1 779 72 80 LYS HA H 4.828 0.02 1 780 72 80 LYS HB2 H 1.813 0.02 2 781 72 80 LYS HB3 H 1.559 0.02 2 782 72 80 LYS HD2 H 1.530 0.02 2 783 72 80 LYS HD3 H 1.530 0.02 2 784 72 80 LYS HE2 H 2.571 0.02 2 785 72 80 LYS HE3 H 2.705 0.02 2 786 72 80 LYS HG2 H 1.044 0.02 2 787 72 80 LYS HG3 H 0.600 0.02 2 788 72 80 LYS C C 177.546 0.15 1 789 72 80 LYS CA C 55.448 0.15 1 790 72 80 LYS CB C 33.965 0.15 1 791 72 80 LYS CD C 29.890 0.15 1 792 72 80 LYS CE C 42.191 0.15 1 793 72 80 LYS CG C 25.481 0.15 1 794 72 80 LYS N N 123.555 0.15 1 795 73 81 ARG H H 8.699 0.02 1 796 73 81 ARG HA H 4.761 0.02 1 797 73 81 ARG HB2 H 1.454 0.02 2 798 73 81 ARG HB3 H 1.784 0.02 2 799 73 81 ARG HD2 H 3.455 0.02 2 800 73 81 ARG HD3 H 3.717 0.02 2 801 73 81 ARG HE H 7.759 0.02 1 802 73 81 ARG HG3 H 1.321 0.02 2 803 73 81 ARG C C 175.555 0.15 1 804 73 81 ARG CA C 53.419 0.15 1 805 73 81 ARG CB C 34.442 0.15 1 806 73 81 ARG CD C 43.486 0.15 1 807 73 81 ARG N N 127.886 0.15 1 808 73 81 ARG NE N 85.099 0.15 1 809 74 82 ASP H H 9.267 0.02 1 810 74 82 ASP HA H 4.308 0.02 1 811 74 82 ASP HB2 H 2.712 0.02 2 812 74 82 ASP HB3 H 2.921 0.02 2 813 74 82 ASP C C 176.123 0.15 1 814 74 82 ASP CA C 55.316 0.15 1 815 74 82 ASP CB C 40.816 0.15 1 816 74 82 ASP N N 123.420 0.15 1 817 75 83 GLY H H 8.646 0.02 1 818 75 83 GLY HA2 H 4.086 0.02 2 819 75 83 GLY HA3 H 3.555 0.02 2 820 75 83 GLY C C 172.787 0.15 1 821 75 83 GLY CA C 46.206 0.15 1 822 75 83 GLY N N 104.396 0.15 1 823 76 84 ARG H H 7.828 0.02 1 824 76 84 ARG HA H 4.579 0.02 1 825 76 84 ARG HB3 H 1.844 0.02 2 826 76 84 ARG HD2 H 3.070 0.02 2 827 76 84 ARG HD3 H 3.070 0.02 2 828 76 84 ARG HE H 6.732 0.02 1 829 76 84 ARG HG2 H 1.537 0.02 2 830 76 84 ARG HG3 H 1.842 0.02 2 831 76 84 ARG C C 173.250 0.15 1 832 76 84 ARG CA C 53.348 0.15 1 833 76 84 ARG CB C 32.422 0.15 1 834 76 84 ARG CD C 44.133 0.15 1 835 76 84 ARG CG C 25.783 0.15 1 836 76 84 ARG N N 118.421 0.15 1 837 76 84 ARG NE N 85.771 0.15 1 838 77 85 TYR H H 8.375 0.02 1 839 77 85 TYR HA H 5.052 0.02 1 840 77 85 TYR HB2 H 2.643 0.02 2 841 77 85 TYR HB3 H 2.029 0.02 2 842 77 85 TYR HD1 H 7.011 0.02 1 843 77 85 TYR HD2 H 7.011 0.02 1 844 77 85 TYR HE1 H 6.842 0.02 1 845 77 85 TYR HE2 H 6.842 0.02 1 846 77 85 TYR C C 173.763 0.15 1 847 77 85 TYR CA C 58.498 0.15 1 848 77 85 TYR CB C 40.928 0.15 1 849 77 85 TYR CD1 C 134.121 0.15 1 850 77 85 TYR CE1 C 117.548 0.15 1 851 77 85 TYR N N 118.065 0.15 1 852 78 86 ILE H H 8.941 0.02 1 853 78 86 ILE HA H 4.419 0.02 1 854 78 86 ILE HB H 1.964 0.02 1 855 78 86 ILE HD1 H 0.084 0.02 1 856 78 86 ILE HG12 H 0.598 0.02 2 857 78 86 ILE HG13 H 0.760 0.02 2 858 78 86 ILE HG2 H 0.617 0.02 1 859 78 86 ILE C C 174.353 0.15 1 860 78 86 ILE CA C 59.994 0.15 1 861 78 86 ILE CB C 38.000 0.15 1 862 78 86 ILE CD1 C 12.758 0.15 1 863 78 86 ILE CG1 C 27.948 0.15 1 864 78 86 ILE CG2 C 19.232 0.15 1 865 78 86 ILE N N 121.038 0.15 1 866 79 87 TYR H H 9.538 0.02 1 867 79 87 TYR HA H 4.642 0.02 1 868 79 87 TYR HB2 H 3.059 0.02 2 869 79 87 TYR HB3 H 2.683 0.02 2 870 79 87 TYR HD1 H 6.872 0.02 1 871 79 87 TYR HD2 H 6.872 0.02 1 872 79 87 TYR HE1 H 6.301 0.02 1 873 79 87 TYR HE2 H 6.301 0.02 1 874 79 87 TYR HH H 11.289 0.02 1 875 79 87 TYR C C 174.403 0.15 1 876 79 87 TYR CA C 59.810 0.15 1 877 79 87 TYR CB C 40.249 0.15 1 878 79 87 TYR CD1 C 133.198 0.15 1 879 79 87 TYR CE1 C 117.503 0.15 1 880 79 87 TYR N N 125.677 0.15 1 881 80 88 TYR H H 9.239 0.02 1 882 80 88 TYR HA H 4.201 0.02 1 883 80 88 TYR HB2 H 3.034 0.02 2 884 80 88 TYR HB3 H 2.286 0.02 2 885 80 88 TYR HD1 H 7.099 0.02 1 886 80 88 TYR HD2 H 7.099 0.02 1 887 80 88 TYR HE1 H 6.753 0.02 1 888 80 88 TYR HE2 H 6.753 0.02 1 889 80 88 TYR HH H 9.872 0.02 1 890 80 88 TYR C C 174.390 0.15 1 891 80 88 TYR CA C 55.929 0.15 1 892 80 88 TYR CB C 36.388 0.15 1 893 80 88 TYR CD1 C 134.274 0.15 1 894 80 88 TYR CE1 C 119.531 0.15 1 895 80 88 TYR N N 123.673 0.15 1 896 81 89 LEU H H 8.971 0.02 1 897 81 89 LEU HA H 4.163 0.02 1 898 81 89 LEU HB2 H 2.040 0.02 2 899 81 89 LEU HB3 H 1.326 0.02 2 900 81 89 LEU HD1 H 0.774 0.02 2 901 81 89 LEU HD2 H 0.819 0.02 2 902 81 89 LEU HG H 1.687 0.02 1 903 81 89 LEU C C 175.505 0.15 1 904 81 89 LEU CA C 55.891 0.15 1 905 81 89 LEU CB C 41.231 0.15 1 906 81 89 LEU CD1 C 26.653 0.15 1 907 81 89 LEU CD2 C 24.711 0.15 1 908 81 89 LEU CG C 27.624 0.15 1 909 81 89 LEU N N 124.065 0.15 1 910 82 90 ILE H H 8.329 0.02 1 911 82 90 ILE HA H 4.409 0.02 1 912 82 90 ILE HB H 2.125 0.02 1 913 82 90 ILE HD1 H 0.514 0.02 1 914 82 90 ILE HG12 H 1.113 0.02 2 915 82 90 ILE HG13 H 1.293 0.02 2 916 82 90 ILE HG2 H 0.583 0.02 1 917 82 90 ILE C C 176.741 0.15 1 918 82 90 ILE CA C 59.671 0.15 1 919 82 90 ILE CB C 34.674 0.15 1 920 82 90 ILE CD1 C 12.110 0.15 1 921 82 90 ILE CG1 C 26.494 0.15 1 922 82 90 ILE CG2 C 19.555 0.15 1 923 82 90 ILE N N 127.910 0.15 1 924 83 91 THR H H 8.313 0.02 1 925 83 91 THR HA H 4.372 0.02 1 926 83 91 THR HB H 4.440 0.02 1 927 83 91 THR HG2 H 1.161 0.02 1 928 83 91 THR C C 173.255 0.15 1 929 83 91 THR CA C 62.157 0.15 1 930 83 91 THR CB C 69.795 0.15 1 931 83 91 THR CG2 C 24.233 0.15 1 932 83 91 THR N N 114.163 0.15 1 933 84 92 LYS H H 7.539 0.02 1 934 84 92 LYS HA H 4.687 0.02 1 935 84 92 LYS HB3 H 1.823 0.02 2 936 84 92 LYS HE3 H 2.988 0.02 2 937 84 92 LYS C C 175.470 0.15 1 938 84 92 LYS CA C 55.262 0.15 1 939 84 92 LYS CB C 34.576 0.15 1 940 84 92 LYS CG C 22.387 0.15 1 941 84 92 LYS N N 115.052 0.15 1 942 85 93 LYS H H 9.558 0.02 1 943 85 93 LYS HA H 3.899 0.02 1 944 85 93 LYS HB3 H 1.945 0.02 2 945 85 93 LYS HD3 H 1.781 0.02 2 946 85 93 LYS HE3 H 3.080 0.02 2 947 85 93 LYS HG2 H 1.424 0.02 2 948 85 93 LYS HG3 H 1.552 0.02 2 949 85 93 LYS C C 176.140 0.15 1 950 85 93 LYS CA C 60.473 0.15 1 951 85 93 LYS CB C 33.917 0.15 1 952 85 93 LYS CD C 29.413 0.15 1 953 85 93 LYS CE C 41.736 0.15 1 954 85 93 LYS CG C 25.370 0.15 1 955 85 93 LYS N N 121.413 0.15 1 956 86 94 ARG H H 6.757 0.02 1 957 86 94 ARG HA H 4.736 0.02 1 958 86 94 ARG HB2 H 0.412 0.02 2 959 86 94 ARG HB3 H 1.760 0.02 2 960 86 94 ARG HD2 H 3.113 0.02 2 961 86 94 ARG HD3 H 3.210 0.02 2 962 86 94 ARG HG2 H 1.395 0.02 2 963 86 94 ARG HG3 H 1.237 0.02 2 964 86 94 ARG C C 177.513 0.15 1 965 86 94 ARG CA C 52.859 0.15 1 966 86 94 ARG CB C 33.283 0.15 1 967 86 94 ARG CD C 43.262 0.15 1 968 86 94 ARG CG C 27.514 0.15 1 969 86 94 ARG N N 112.543 0.15 1 970 87 95 ALA H H 9.288 0.02 1 971 87 95 ALA HA H 3.940 0.02 1 972 87 95 ALA HB H 1.549 0.02 1 973 87 95 ALA C C 178.396 0.15 1 974 87 95 ALA CA C 56.247 0.15 1 975 87 95 ALA CB C 19.601 0.15 1 976 87 95 ALA N N 125.011 0.15 1 977 88 96 SER H H 7.680 0.02 1 978 88 96 SER HA H 4.365 0.02 1 979 88 96 SER HB2 H 3.903 0.02 2 980 88 96 SER HB3 H 4.128 0.02 2 981 88 96 SER C C 175.575 0.15 1 982 88 96 SER CA C 58.700 0.15 1 983 88 96 SER CB C 63.555 0.15 1 984 88 96 SER N N 107.426 0.15 1 985 89 97 HIS H H 7.592 0.02 1 986 89 97 HIS HA H 4.790 0.02 1 987 89 97 HIS HB2 H 3.323 0.02 2 988 89 97 HIS HB3 H 3.203 0.02 2 989 89 97 HIS HD2 H 6.956 0.02 1 990 89 97 HIS HE1 H 7.806 0.02 1 991 89 97 HIS C C 174.643 0.15 1 992 89 97 HIS CA C 54.937 0.15 1 993 89 97 HIS CB C 33.349 0.15 1 994 89 97 HIS CD2 C 116.435 0.15 1 995 89 97 HIS CE1 C 138.792 0.15 1 996 89 97 HIS N N 122.044 0.15 1 997 90 98 LYS H H 8.682 0.02 1 998 90 98 LYS HA H 4.834 0.02 1 999 90 98 LYS HB2 H 1.757 0.02 2 1000 90 98 LYS HB3 H 1.956 0.02 2 1001 90 98 LYS HE3 H 4.114 0.02 2 1002 90 98 LYS HG2 H 1.582 0.02 2 1003 90 98 LYS HG3 H 1.627 0.02 2 1004 90 98 LYS C C 175.201 0.15 1 1005 90 98 LYS CA C 54.130 0.15 1 1006 90 98 LYS CB C 33.127 0.15 1 1007 90 98 LYS CG C 24.771 0.15 1 1008 90 98 LYS N N 122.003 0.15 1 1009 91 99 PRO HA H 4.828 0.02 1 1010 91 99 PRO HB2 H 1.843 0.02 2 1011 91 99 PRO HB3 H 2.220 0.02 2 1012 91 99 PRO HD2 H 3.642 0.02 2 1013 91 99 PRO HD3 H 4.108 0.02 2 1014 91 99 PRO HG2 H 1.922 0.02 2 1015 91 99 PRO HG3 H 2.071 0.02 2 1016 91 99 PRO C C 175.447 0.15 1 1017 91 99 PRO CA C 62.959 0.15 1 1018 91 99 PRO CB C 32.935 0.15 1 1019 91 99 PRO CD C 50.607 0.15 1 1020 91 99 PRO CG C 26.977 0.15 1 1021 92 100 THR H H 7.877 0.02 1 1022 92 100 THR HA H 4.772 0.02 1 1023 92 100 THR HB H 4.805 0.02 1 1024 92 100 THR HG1 H 5.341 0.02 1 1025 92 100 THR HG2 H 1.346 0.02 1 1026 92 100 THR C C 175.833 0.15 1 1027 92 100 THR CA C 58.706 0.15 1 1028 92 100 THR CB C 71.636 0.15 1 1029 92 100 THR CG2 C 22.145 0.15 1 1030 92 100 THR N N 107.444 0.15 1 1031 93 101 TYR H H 8.751 0.02 1 1032 93 101 TYR HA H 4.088 0.02 1 1033 93 101 TYR HB2 H 2.894 0.02 2 1034 93 101 TYR HB3 H 3.121 0.02 2 1035 93 101 TYR HD1 H 7.263 0.02 1 1036 93 101 TYR HD2 H 7.263 0.02 1 1037 93 101 TYR HE1 H 6.898 0.02 1 1038 93 101 TYR HE2 H 6.898 0.02 1 1039 93 101 TYR C C 178.201 0.15 1 1040 93 101 TYR CA C 63.704 0.15 1 1041 93 101 TYR CB C 37.789 0.15 1 1042 93 101 TYR CD1 C 133.147 0.15 1 1043 93 101 TYR CE1 C 119.150 0.15 1 1044 93 101 TYR N N 121.022 0.15 1 1045 94 102 GLU H H 8.868 0.02 1 1046 94 102 GLU HA H 4.131 0.02 1 1047 94 102 GLU HB2 H 1.942 0.02 2 1048 94 102 GLU HB3 H 2.160 0.02 2 1049 94 102 GLU HG3 H 2.347 0.02 2 1050 94 102 GLU C C 179.034 0.15 1 1051 94 102 GLU CA C 60.716 0.15 1 1052 94 102 GLU CB C 29.566 0.15 1 1053 94 102 GLU CG C 37.165 0.15 1 1054 94 102 GLU N N 118.379 0.15 1 1055 95 103 ASN H H 7.905 0.02 1 1056 95 103 ASN HA H 4.705 0.02 1 1057 95 103 ASN HB2 H 3.007 0.02 2 1058 95 103 ASN HB3 H 2.354 0.02 2 1059 95 103 ASN HD21 H 6.953 0.02 2 1060 95 103 ASN HD22 H 8.168 0.02 2 1061 95 103 ASN C C 178.351 0.15 1 1062 95 103 ASN CA C 55.702 0.15 1 1063 95 103 ASN CB C 38.071 0.15 1 1064 95 103 ASN N N 117.325 0.15 1 1065 95 103 ASN ND2 N 112.355 0.15 1 1066 96 104 LEU H H 8.044 0.02 1 1067 96 104 LEU HA H 4.125 0.02 1 1068 96 104 LEU HB2 H 1.356 0.02 2 1069 96 104 LEU HB3 H 2.119 0.02 2 1070 96 104 LEU HD1 H 0.873 0.02 2 1071 96 104 LEU HD2 H 0.961 0.02 2 1072 96 104 LEU HG H 1.655 0.02 1 1073 96 104 LEU C C 177.910 0.15 1 1074 96 104 LEU CA C 58.868 0.15 1 1075 96 104 LEU CB C 41.543 0.15 1 1076 96 104 LEU CD1 C 23.740 0.15 1 1077 96 104 LEU CD2 C 27.948 0.15 1 1078 96 104 LEU CG C 28.048 0.15 1 1079 96 104 LEU N N 121.676 0.15 1 1080 97 105 GLN H H 8.800 0.02 1 1081 97 105 GLN HA H 3.732 0.02 1 1082 97 105 GLN HB2 H 2.162 0.02 2 1083 97 105 GLN HB3 H 2.451 0.02 2 1084 97 105 GLN HE21 H 6.683 0.02 2 1085 97 105 GLN HE22 H 7.479 0.02 2 1086 97 105 GLN HG2 H 2.110 0.02 2 1087 97 105 GLN HG3 H 2.340 0.02 2 1088 97 105 GLN C C 178.126 0.15 1 1089 97 105 GLN CA C 61.526 0.15 1 1090 97 105 GLN CB C 27.715 0.15 1 1091 97 105 GLN CG C 33.367 0.15 1 1092 97 105 GLN N N 120.428 0.15 1 1093 97 105 GLN NE2 N 111.126 0.15 1 1094 98 106 LYS H H 7.829 0.02 1 1095 98 106 LYS HA H 4.045 0.02 1 1096 98 106 LYS HB2 H 1.966 0.02 2 1097 98 106 LYS HB3 H 2.310 0.02 2 1098 98 106 LYS HD3 H 1.835 0.02 2 1099 98 106 LYS HE2 H 3.024 0.02 2 1100 98 106 LYS HE3 H 3.024 0.02 2 1101 98 106 LYS HG2 H 1.817 0.02 2 1102 98 106 LYS HG3 H 1.573 0.02 2 1103 98 106 LYS C C 179.964 0.15 1 1104 98 106 LYS CA C 60.703 0.15 1 1105 98 106 LYS CB C 33.429 0.15 1 1106 98 106 LYS CD C 29.853 0.15 1 1107 98 106 LYS CE C 42.514 0.15 1 1108 98 106 LYS CG C 26.494 0.15 1 1109 98 106 LYS N N 117.762 0.15 1 1110 99 107 SER H H 8.265 0.02 1 1111 99 107 SER HA H 3.736 0.02 1 1112 99 107 SER HB3 H 3.710 0.02 2 1113 99 107 SER C C 176.548 0.15 1 1114 99 107 SER CA C 63.879 0.15 1 1115 99 107 SER CB C 63.060 0.15 1 1116 99 107 SER N N 118.319 0.15 1 1117 100 108 LEU H H 8.490 0.02 1 1118 100 108 LEU HA H 3.900 0.02 1 1119 100 108 LEU HB2 H 1.148 0.02 2 1120 100 108 LEU HB3 H 2.296 0.02 2 1121 100 108 LEU HD1 H 0.777 0.02 2 1122 100 108 LEU HD2 H 0.761 0.02 2 1123 100 108 LEU HG H 0.760 0.02 1 1124 100 108 LEU C C 179.129 0.15 1 1125 100 108 LEU CA C 58.793 0.15 1 1126 100 108 LEU CB C 43.224 0.15 1 1127 100 108 LEU CD1 C 23.740 0.15 1 1128 100 108 LEU CD2 C 22.960 0.15 1 1129 100 108 LEU CG C 27.064 0.15 1 1130 100 108 LEU N N 122.879 0.15 1 1131 101 109 GLU H H 8.412 0.02 1 1132 101 109 GLU HA H 3.667 0.02 1 1133 101 109 GLU HB2 H 2.020 0.02 2 1134 101 109 GLU HB3 H 2.229 0.02 2 1135 101 109 GLU HG2 H 2.236 0.02 2 1136 101 109 GLU HG3 H 2.468 0.02 2 1137 101 109 GLU C C 179.287 0.15 1 1138 101 109 GLU CA C 59.887 0.15 1 1139 101 109 GLU CB C 29.514 0.15 1 1140 101 109 GLU CG C 36.665 0.15 1 1141 101 109 GLU N N 119.973 0.15 1 1142 102 110 ALA H H 8.220 0.02 1 1143 102 110 ALA HA H 4.273 0.02 1 1144 102 110 ALA HB H 1.680 0.02 1 1145 102 110 ALA C C 181.236 0.15 1 1146 102 110 ALA CA C 55.606 0.15 1 1147 102 110 ALA CB C 18.038 0.15 1 1148 102 110 ALA N N 124.335 0.15 1 1149 103 111 MET H H 8.507 0.02 1 1150 103 111 MET HA H 3.756 0.02 1 1151 103 111 MET HB2 H 2.453 0.02 2 1152 103 111 MET HB3 H 1.604 0.02 2 1153 103 111 MET HE H 1.794 0.02 1 1154 103 111 MET HG2 H 0.883 0.02 2 1155 103 111 MET HG3 H 1.800 0.02 2 1156 103 111 MET C C 176.848 0.15 1 1157 103 111 MET CA C 60.171 0.15 1 1158 103 111 MET CB C 33.414 0.15 1 1159 103 111 MET CE C 17.314 0.15 1 1160 103 111 MET CG C 30.214 0.15 1 1161 103 111 MET N N 122.080 0.15 1 1162 104 112 LYS H H 8.735 0.02 1 1163 104 112 LYS HA H 3.633 0.02 1 1164 104 112 LYS HB2 H 1.083 0.02 2 1165 104 112 LYS HB3 H 1.724 0.02 2 1166 104 112 LYS HD2 H 1.223 0.02 2 1167 104 112 LYS HD3 H 1.386 0.02 2 1168 104 112 LYS HE2 H 2.701 0.02 2 1169 104 112 LYS HE3 H 2.751 0.02 2 1170 104 112 LYS HG2 H 0.960 0.02 2 1171 104 112 LYS HG3 H 1.065 0.02 2 1172 104 112 LYS C C 177.574 0.15 1 1173 104 112 LYS CA C 60.799 0.15 1 1174 104 112 LYS CB C 31.185 0.15 1 1175 104 112 LYS CD C 29.566 0.15 1 1176 104 112 LYS CE C 42.191 0.15 1 1177 104 112 LYS CG C 24.063 0.15 1 1178 104 112 LYS N N 121.145 0.15 1 1179 105 113 SER H H 8.013 0.02 1 1180 105 113 SER HA H 4.110 0.02 1 1181 105 113 SER HB3 H 3.982 0.02 2 1182 105 113 SER C C 176.677 0.15 1 1183 105 113 SER CA C 62.016 0.15 1 1184 105 113 SER CB C 62.738 0.15 1 1185 105 113 SER N N 112.107 0.15 1 1186 106 114 HIS H H 7.636 0.02 1 1187 106 114 HIS HA H 4.024 0.02 1 1188 106 114 HIS HB2 H 3.198 0.02 2 1189 106 114 HIS HB3 H 3.362 0.02 2 1190 106 114 HIS HD2 H 7.173 0.02 1 1191 106 114 HIS HE1 H 5.767 0.02 1 1192 106 114 HIS C C 179.272 0.15 1 1193 106 114 HIS CA C 62.260 0.15 1 1194 106 114 HIS CB C 30.984 0.15 1 1195 106 114 HIS CD2 C 118.736 0.15 1 1196 106 114 HIS CE1 C 138.065 0.15 1 1197 106 114 HIS N N 121.990 0.15 1 1198 107 115 CYS H H 9.277 0.02 1 1199 107 115 CYS HA H 4.143 0.02 1 1200 107 115 CYS HB2 H 3.022 0.02 2 1201 107 115 CYS HB3 H 3.453 0.02 2 1202 107 115 CYS C C 178.356 0.15 1 1203 107 115 CYS CA C 64.265 0.15 1 1204 107 115 CYS CB C 28.133 0.15 1 1205 107 115 CYS N N 119.607 0.15 1 1206 108 116 LEU H H 8.356 0.02 1 1207 108 116 LEU HA H 4.269 0.02 1 1208 108 116 LEU HB2 H 1.534 0.02 2 1209 108 116 LEU HB3 H 1.928 0.02 2 1210 108 116 LEU HD1 H 0.914 0.02 2 1211 108 116 LEU HD2 H 1.014 0.02 2 1212 108 116 LEU HG H 1.924 0.02 1 1213 108 116 LEU C C 180.725 0.15 1 1214 108 116 LEU CA C 57.755 0.15 1 1215 108 116 LEU CB C 42.348 0.15 1 1216 108 116 LEU CD1 C 26.329 0.15 1 1217 108 116 LEU CD2 C 23.092 0.15 1 1218 108 116 LEU CG C 26.977 0.15 1 1219 108 116 LEU N N 117.346 0.15 1 1220 109 117 LYS H H 7.666 0.02 1 1221 109 117 LYS HA H 4.157 0.02 1 1222 109 117 LYS HB3 H 1.770 0.02 2 1223 109 117 LYS HD3 H 1.639 0.02 2 1224 109 117 LYS HE3 H 3.004 0.02 2 1225 109 117 LYS HG2 H 1.412 0.02 2 1226 109 117 LYS HG3 H 1.514 0.02 2 1227 109 117 LYS C C 177.654 0.15 1 1228 109 117 LYS CA C 58.747 0.15 1 1229 109 117 LYS CB C 33.584 0.15 1 1230 109 117 LYS CD C 29.566 0.15 1 1231 109 117 LYS CE C 42.077 0.15 1 1232 109 117 LYS CG C 25.391 0.15 1 1233 109 117 LYS N N 118.712 0.15 1 1234 110 118 ASN H H 7.632 0.02 1 1235 110 118 ASN HA H 4.880 0.02 1 1236 110 118 ASN HB2 H 2.118 0.02 2 1237 110 118 ASN HB3 H 2.847 0.02 2 1238 110 118 ASN HD21 H 6.303 0.02 2 1239 110 118 ASN HD22 H 6.689 0.02 2 1240 110 118 ASN C C 174.638 0.15 1 1241 110 118 ASN CA C 54.214 0.15 1 1242 110 118 ASN CB C 40.342 0.15 1 1243 110 118 ASN N N 113.426 0.15 1 1244 110 118 ASN ND2 N 115.443 0.15 1 1245 111 119 GLY H H 7.692 0.02 1 1246 111 119 GLY HA3 H 4.046 0.02 2 1247 111 119 GLY C C 174.559 0.15 1 1248 111 119 GLY CA C 47.585 0.15 1 1249 111 119 GLY N N 109.524 0.15 1 1250 112 120 VAL H H 8.497 0.02 1 1251 112 120 VAL HA H 4.118 0.02 1 1252 112 120 VAL HB H 2.107 0.02 1 1253 112 120 VAL HG1 H 1.312 0.02 2 1254 112 120 VAL HG2 H 1.412 0.02 2 1255 112 120 VAL C C 176.259 0.15 1 1256 112 120 VAL CA C 64.135 0.15 1 1257 112 120 VAL CB C 32.858 0.15 1 1258 112 120 VAL CG1 C 22.367 0.15 1 1259 112 120 VAL CG2 C 22.343 0.15 1 1260 112 120 VAL N N 122.872 0.15 1 1261 113 121 THR H H 8.975 0.02 1 1262 113 121 THR HA H 4.556 0.02 1 1263 113 121 THR HB H 4.515 0.02 1 1264 113 121 THR HG2 H 1.133 0.02 1 1265 113 121 THR C C 173.865 0.15 1 1266 113 121 THR CA C 62.260 0.15 1 1267 113 121 THR CB C 70.872 0.15 1 1268 113 121 THR CG2 C 21.288 0.15 1 1269 113 121 THR N N 115.426 0.15 1 1270 114 122 ASP H H 8.119 0.02 1 1271 114 122 ASP HA H 5.548 0.02 1 1272 114 122 ASP HB2 H 2.511 0.02 2 1273 114 122 ASP HB3 H 2.584 0.02 2 1274 114 122 ASP C C 173.004 0.15 1 1275 114 122 ASP CA C 55.002 0.15 1 1276 114 122 ASP CB C 44.372 0.15 1 1277 114 122 ASP N N 123.846 0.15 1 1278 115 123 LEU H H 8.684 0.02 1 1279 115 123 LEU HA H 5.247 0.02 1 1280 115 123 LEU HB2 H 1.165 0.02 2 1281 115 123 LEU HB3 H 1.382 0.02 2 1282 115 123 LEU HD1 H 0.609 0.02 2 1283 115 123 LEU HD2 H 0.758 0.02 2 1284 115 123 LEU HG H 1.323 0.02 1 1285 115 123 LEU C C 176.913 0.15 1 1286 115 123 LEU CA C 53.190 0.15 1 1287 115 123 LEU CB C 48.245 0.15 1 1288 115 123 LEU CD1 C 25.597 0.15 1 1289 115 123 LEU CD2 C 25.597 0.15 1 1290 115 123 LEU CG C 27.025 0.15 1 1291 115 123 LEU N N 123.416 0.15 1 1292 116 124 SER H H 9.481 0.02 1 1293 116 124 SER HA H 6.085 0.02 1 1294 116 124 SER HB2 H 3.803 0.02 2 1295 116 124 SER HB3 H 3.915 0.02 2 1296 116 124 SER C C 172.293 0.15 1 1297 116 124 SER CA C 59.567 0.15 1 1298 116 124 SER CB C 67.565 0.15 1 1299 116 124 SER N N 122.996 0.15 1 1300 117 125 MET H H 9.091 0.02 1 1301 117 125 MET HA H 5.458 0.02 1 1302 117 125 MET HB2 H 2.278 0.02 2 1303 117 125 MET HB3 H 2.417 0.02 2 1304 117 125 MET HE H 1.721 0.02 1 1305 117 125 MET HG2 H 2.407 0.02 2 1306 117 125 MET HG3 H 2.895 0.02 2 1307 117 125 MET C C 173.044 0.15 1 1308 117 125 MET CA C 54.168 0.15 1 1309 117 125 MET CB C 35.069 0.15 1 1310 117 125 MET CE C 16.342 0.15 1 1311 117 125 MET CG C 30.537 0.15 1 1312 117 125 MET N N 118.639 0.15 1 1313 118 126 PRO HA H 5.623 0.02 1 1314 118 126 PRO HB3 H 2.387 0.02 2 1315 118 126 PRO HD2 H 3.904 0.02 2 1316 118 126 PRO HD3 H 4.263 0.02 2 1317 118 126 PRO HG2 H 2.054 0.02 2 1318 118 126 PRO HG3 H 2.250 0.02 2 1319 118 126 PRO CA C 62.734 0.15 1 1320 118 126 PRO CB C 32.803 0.15 1 1321 118 126 PRO CD C 49.312 0.15 1 1322 118 126 PRO CG C 26.653 0.15 1 1323 119 127 ARG H H 8.352 0.02 1 1324 119 127 ARG HA H 3.925 0.02 1 1325 119 127 ARG CA C 56.003 0.15 1 1326 119 127 ARG CB C 33.017 0.15 1 1327 119 127 ARG N N 117.097 0.15 1 1328 120 128 ILE H H 7.991 0.02 1 1329 120 128 ILE HA H 4.093 0.02 1 1330 120 128 ILE HB H 1.947 0.02 1 1331 120 128 ILE HD1 H 0.816 0.02 1 1332 120 128 ILE HG12 H 1.501 0.02 2 1333 120 128 ILE HG13 H 2.146 0.02 2 1334 120 128 ILE HG2 H 1.249 0.02 1 1335 120 128 ILE CA C 63.231 0.15 1 1336 120 128 ILE CB C 40.249 0.15 1 1337 120 128 ILE CD1 C 15.671 0.15 1 1338 120 128 ILE CG1 C 25.035 0.15 1 1339 120 128 ILE CG2 C 20.203 0.15 1 1340 120 128 ILE N N 123.040 0.15 1 1341 121 129 GLY H H 8.644 0.02 1 1342 121 129 GLY HA2 H 3.742 0.02 2 1343 121 129 GLY HA3 H 4.247 0.02 2 1344 121 129 GLY C C 173.142 0.15 1 1345 121 129 GLY CA C 46.141 0.15 1 1346 121 129 GLY N N 107.618 0.15 1 1347 122 130 CYS H H 7.515 0.02 1 1348 122 130 CYS HA H 4.875 0.02 1 1349 122 130 CYS HB2 H 3.029 0.02 2 1350 122 130 CYS HB3 H 3.221 0.02 2 1351 122 130 CYS C C 175.715 0.15 1 1352 122 130 CYS CA C 59.023 0.15 1 1353 122 130 CYS CB C 29.243 0.15 1 1354 122 130 CYS N N 115.329 0.15 1 1355 123 131 GLY H H 8.920 0.02 1 1356 123 131 GLY CA C 46.023 0.15 1 1357 123 131 GLY N N 112.785 0.15 1 1358 124 132 LEU H H 7.403 0.02 1 1359 124 132 LEU HA H 3.915 0.02 1 1360 124 132 LEU HB2 H 2.451 0.02 2 1361 124 132 LEU HB3 H 2.692 0.02 2 1362 124 132 LEU HD1 H 0.860 0.02 2 1363 124 132 LEU HD2 H 0.054 0.02 2 1364 124 132 LEU HG H 1.357 0.02 1 1365 124 132 LEU C C 175.707 0.15 1 1366 124 132 LEU CA C 56.110 0.15 1 1367 124 132 LEU CB C 43.809 0.15 1 1368 124 132 LEU CD1 C 27.948 0.15 1 1369 124 132 LEU CD2 C 27.948 0.15 1 1370 124 132 LEU CG C 27.624 0.15 1 1371 125 133 ASP H H 7.926 0.02 1 1372 125 133 ASP HA H 4.195 0.02 1 1373 125 133 ASP HB3 H 2.632 0.02 2 1374 125 133 ASP C C 176.939 0.15 1 1375 125 133 ASP CA C 56.104 0.15 1 1376 125 133 ASP CB C 41.867 0.15 1 1377 125 133 ASP N N 117.900 0.15 1 1378 126 134 ARG H H 7.600 0.02 1 1379 126 134 ARG HA H 4.035 0.02 1 1380 126 134 ARG HB2 H 1.949 0.02 2 1381 126 134 ARG HB3 H 2.202 0.02 2 1382 126 134 ARG HD2 H 3.228 0.02 2 1383 126 134 ARG HD3 H 3.301 0.02 2 1384 126 134 ARG HG3 H 1.729 0.02 2 1385 126 134 ARG C C 176.130 0.15 1 1386 126 134 ARG CA C 58.022 0.15 1 1387 126 134 ARG CB C 28.595 0.15 1 1388 126 134 ARG CD C 43.768 0.15 1 1389 126 134 ARG CG C 27.581 0.15 1 1390 126 134 ARG N N 108.804 0.15 1 1391 127 135 LEU H H 8.412 0.02 1 1392 127 135 LEU HA H 4.570 0.02 1 1393 127 135 LEU HB2 H 1.234 0.02 2 1394 127 135 LEU HB3 H 1.707 0.02 2 1395 127 135 LEU HD1 H 0.168 0.02 2 1396 127 135 LEU HD2 H 0.468 0.02 2 1397 127 135 LEU HG H 1.600 0.02 1 1398 127 135 LEU C C 175.689 0.15 1 1399 127 135 LEU CA C 55.123 0.15 1 1400 127 135 LEU CB C 40.294 0.15 1 1401 127 135 LEU CD1 C 19.879 0.15 1 1402 127 135 LEU CD2 C 25.682 0.15 1 1403 127 135 LEU CG C 26.329 0.15 1 1404 127 135 LEU N N 118.962 0.15 1 1405 128 136 GLN H H 7.783 0.02 1 1406 128 136 GLN HA H 4.837 0.02 1 1407 128 136 GLN HB2 H 2.219 0.02 2 1408 128 136 GLN HB3 H 2.386 0.02 2 1409 128 136 GLN HE21 H 6.963 0.02 2 1410 128 136 GLN HE22 H 7.703 0.02 2 1411 128 136 GLN HG3 H 2.587 0.02 2 1412 128 136 GLN C C 177.920 0.15 1 1413 128 136 GLN CA C 55.161 0.15 1 1414 128 136 GLN CB C 30.590 0.15 1 1415 128 136 GLN CG C 34.569 0.15 1 1416 128 136 GLN N N 116.769 0.15 1 1417 128 136 GLN NE2 N 113.143 0.15 1 1418 129 137 TRP H H 9.752 0.02 1 1419 129 137 TRP HA H 4.589 0.02 1 1420 129 137 TRP HB2 H 3.227 0.02 2 1421 129 137 TRP HB3 H 3.762 0.02 2 1422 129 137 TRP HD1 H 7.231 0.02 1 1423 129 137 TRP HE1 H 10.420 0.02 1 1424 129 137 TRP HE3 H 8.028 0.02 1 1425 129 137 TRP HH2 H 7.006 0.02 1 1426 129 137 TRP HZ2 H 7.655 0.02 1 1427 129 137 TRP HZ3 H 7.384 0.02 1 1428 129 137 TRP C C 177.223 0.15 1 1429 129 137 TRP CA C 60.477 0.15 1 1430 129 137 TRP CB C 30.349 0.15 1 1431 129 137 TRP CD1 C 127.762 0.15 1 1432 129 137 TRP CE3 C 122.727 0.15 1 1433 129 137 TRP CH2 C 124.540 0.15 1 1434 129 137 TRP CZ2 C 114.585 0.15 1 1435 129 137 TRP CZ3 C 122.727 0.15 1 1436 129 137 TRP N N 129.066 0.15 1 1437 129 137 TRP NE1 N 128.292 0.15 1 1438 130 138 GLU H H 9.948 0.02 1 1439 130 138 GLU HA H 3.820 0.02 1 1440 130 138 GLU HB3 H 1.973 0.02 2 1441 130 138 GLU HG2 H 2.352 0.02 2 1442 130 138 GLU HG3 H 2.402 0.02 2 1443 130 138 GLU C C 178.053 0.15 1 1444 130 138 GLU CA C 61.124 0.15 1 1445 130 138 GLU CB C 29.078 0.15 1 1446 130 138 GLU CG C 37.071 0.15 1 1447 130 138 GLU N N 119.699 0.15 1 1448 131 139 ASN H H 7.173 0.02 1 1449 131 139 ASN HA H 4.481 0.02 1 1450 131 139 ASN HB2 H 2.445 0.02 2 1451 131 139 ASN HB3 H 3.005 0.02 2 1452 131 139 ASN HD21 H 6.789 0.02 2 1453 131 139 ASN HD22 H 6.892 0.02 2 1454 131 139 ASN C C 177.455 0.15 1 1455 131 139 ASN CA C 55.755 0.15 1 1456 131 139 ASN CB C 39.068 0.15 1 1457 131 139 ASN N N 115.196 0.15 1 1458 131 139 ASN ND2 N 110.788 0.15 1 1459 132 140 VAL H H 8.039 0.02 1 1460 132 140 VAL HA H 3.533 0.02 1 1461 132 140 VAL HB H 1.749 0.02 1 1462 132 140 VAL HG1 H 1.130 0.02 2 1463 132 140 VAL HG2 H 0.967 0.02 2 1464 132 140 VAL C C 177.355 0.15 1 1465 132 140 VAL CA C 67.644 0.15 1 1466 132 140 VAL CB C 32.114 0.15 1 1467 132 140 VAL CG1 C 23.416 0.15 1 1468 132 140 VAL CG2 C 22.279 0.15 1 1469 132 140 VAL N N 122.597 0.15 1 1470 133 141 SER H H 8.567 0.02 1 1471 133 141 SER HA H 3.172 0.02 1 1472 133 141 SER HB2 H 3.418 0.02 2 1473 133 141 SER HB3 H 2.801 0.02 2 1474 133 141 SER C C 176.147 0.15 1 1475 133 141 SER CA C 61.850 0.15 1 1476 133 141 SER CB C 61.613 0.15 1 1477 133 141 SER N N 115.191 0.15 1 1478 134 142 ALA H H 6.539 0.02 1 1479 134 142 ALA HA H 4.099 0.02 1 1480 134 142 ALA HB H 1.427 0.02 1 1481 134 142 ALA C C 180.096 0.15 1 1482 134 142 ALA CA C 55.298 0.15 1 1483 134 142 ALA CB C 17.958 0.15 1 1484 134 142 ALA N N 123.741 0.15 1 1485 135 143 MET H H 7.468 0.02 1 1486 135 143 MET HA H 4.139 0.02 1 1487 135 143 MET HB3 H 2.272 0.02 2 1488 135 143 MET HE H 2.260 0.02 1 1489 135 143 MET HG2 H 2.261 0.02 2 1490 135 143 MET HG3 H 2.596 0.02 2 1491 135 143 MET C C 178.188 0.15 1 1492 135 143 MET CA C 59.291 0.15 1 1493 135 143 MET CB C 34.284 0.15 1 1494 135 143 MET CE C 17.314 0.15 1 1495 135 143 MET CG C 30.806 0.15 1 1496 135 143 MET N N 119.522 0.15 1 1497 136 144 ILE H H 8.560 0.02 1 1498 136 144 ILE HA H 3.492 0.02 1 1499 136 144 ILE HB H 1.911 0.02 1 1500 136 144 ILE HD1 H 0.835 0.02 1 1501 136 144 ILE HG12 H 0.728 0.02 2 1502 136 144 ILE HG13 H 1.914 0.02 2 1503 136 144 ILE HG2 H 0.757 0.02 1 1504 136 144 ILE C C 178.074 0.15 1 1505 136 144 ILE CA C 67.017 0.15 1 1506 136 144 ILE CB C 38.475 0.15 1 1507 136 144 ILE CD1 C 15.347 0.15 1 1508 136 144 ILE CG1 C 30.861 0.15 1 1509 136 144 ILE CG2 C 18.584 0.15 1 1510 136 144 ILE N N 120.319 0.15 1 1511 137 145 GLU H H 8.123 0.02 1 1512 137 145 GLU HA H 3.906 0.02 1 1513 137 145 GLU HB3 H 2.122 0.02 2 1514 137 145 GLU HG2 H 2.263 0.02 2 1515 137 145 GLU HG3 H 2.520 0.02 2 1516 137 145 GLU C C 179.051 0.15 1 1517 137 145 GLU CA C 60.429 0.15 1 1518 137 145 GLU CB C 29.385 0.15 1 1519 137 145 GLU CG C 36.619 0.15 1 1520 137 145 GLU N N 117.238 0.15 1 1521 138 146 GLU H H 7.870 0.02 1 1522 138 146 GLU HA H 4.109 0.02 1 1523 138 146 GLU HB3 H 2.152 0.02 2 1524 138 146 GLU HG2 H 2.157 0.02 2 1525 138 146 GLU HG3 H 2.356 0.02 2 1526 138 146 GLU C C 179.635 0.15 1 1527 138 146 GLU CA C 59.827 0.15 1 1528 138 146 GLU CB C 30.245 0.15 1 1529 138 146 GLU CG C 36.387 0.15 1 1530 138 146 GLU N N 118.636 0.15 1 1531 139 147 VAL H H 8.803 0.02 1 1532 139 147 VAL HA H 3.602 0.02 1 1533 139 147 VAL HB H 1.936 0.02 1 1534 139 147 VAL HG1 H 0.120 0.02 2 1535 139 147 VAL HG2 H 1.088 0.02 2 1536 139 147 VAL C C 177.761 0.15 1 1537 139 147 VAL CA C 66.445 0.15 1 1538 139 147 VAL CB C 32.373 0.15 1 1539 139 147 VAL CG1 C 21.821 0.15 1 1540 139 147 VAL CG2 C 23.595 0.15 1 1541 139 147 VAL N N 120.034 0.15 1 1542 140 148 PHE H H 8.020 0.02 1 1543 140 148 PHE HA H 4.229 0.02 1 1544 140 148 PHE HB2 H 2.682 0.02 2 1545 140 148 PHE HB3 H 3.194 0.02 2 1546 140 148 PHE HD1 H 7.637 0.02 1 1547 140 148 PHE HD2 H 7.637 0.02 1 1548 140 148 PHE HE1 H 6.956 0.02 1 1549 140 148 PHE HE2 H 6.956 0.02 1 1550 140 148 PHE HZ H 6.838 0.02 1 1551 140 148 PHE C C 177.477 0.15 1 1552 140 148 PHE CA C 59.994 0.15 1 1553 140 148 PHE CB C 38.306 0.15 1 1554 140 148 PHE CD1 C 132.417 0.15 1 1555 140 148 PHE CE1 C 129.812 0.15 1 1556 140 148 PHE CZ C 128.898 0.15 1 1557 140 148 PHE N N 112.054 0.15 1 1558 141 149 GLU H H 7.292 0.02 1 1559 141 149 GLU HA H 4.198 0.02 1 1560 141 149 GLU HB2 H 2.080 0.02 2 1561 141 149 GLU HB3 H 2.463 0.02 2 1562 141 149 GLU HG3 H 2.400 0.02 2 1563 141 149 GLU C C 176.200 0.15 1 1564 141 149 GLU CA C 59.246 0.15 1 1565 141 149 GLU CB C 29.756 0.15 1 1566 141 149 GLU CG C 36.158 0.15 1 1567 141 149 GLU N N 124.068 0.15 1 1568 142 150 ALA H H 8.867 0.02 1 1569 142 150 ALA HA H 4.327 0.02 1 1570 142 150 ALA HB H 1.510 0.02 1 1571 142 150 ALA C C 177.045 0.15 1 1572 142 150 ALA CA C 53.466 0.15 1 1573 142 150 ALA CB C 17.665 0.15 1 1574 142 150 ALA N N 121.968 0.15 1 1575 143 151 THR H H 7.805 0.02 1 1576 143 151 THR HA H 4.896 0.02 1 1577 143 151 THR HB H 4.467 0.02 1 1578 143 151 THR HG1 H 5.581 0.02 1 1579 143 151 THR HG2 H 1.257 0.02 1 1580 143 151 THR C C 174.504 0.15 1 1581 143 151 THR CA C 60.965 0.15 1 1582 143 151 THR CB C 72.952 0.15 1 1583 143 151 THR CG2 C 22.145 0.15 1 1584 143 151 THR N N 107.737 0.15 1 1585 144 152 ASP H H 9.001 0.02 1 1586 144 152 ASP HA H 5.004 0.02 1 1587 144 152 ASP HB2 H 2.676 0.02 2 1588 144 152 ASP HB3 H 2.942 0.02 2 1589 144 152 ASP C C 175.447 0.15 1 1590 144 152 ASP CA C 53.999 0.15 1 1591 144 152 ASP CB C 41.181 0.15 1 1592 144 152 ASP N N 120.727 0.15 1 1593 145 153 ILE H H 7.444 0.02 1 1594 145 153 ILE HA H 4.199 0.02 1 1595 145 153 ILE HB H 1.806 0.02 1 1596 145 153 ILE HD1 H 1.112 0.02 1 1597 145 153 ILE HG12 H 1.343 0.02 2 1598 145 153 ILE HG13 H 1.773 0.02 2 1599 145 153 ILE HG2 H 0.458 0.02 1 1600 145 153 ILE C C 175.525 0.15 1 1601 145 153 ILE CA C 62.683 0.15 1 1602 145 153 ILE CB C 38.726 0.15 1 1603 145 153 ILE CD1 C 14.376 0.15 1 1604 145 153 ILE CG1 C 29.663 0.15 1 1605 145 153 ILE CG2 C 17.147 0.15 1 1606 145 153 ILE N N 120.620 0.15 1 1607 146 154 LYS H H 8.594 0.02 1 1608 146 154 LYS HA H 4.500 0.02 1 1609 146 154 LYS HB2 H 1.907 0.02 2 1610 146 154 LYS HB3 H 1.967 0.02 2 1611 146 154 LYS HD3 H 1.705 0.02 2 1612 146 154 LYS HE3 H 3.023 0.02 2 1613 146 154 LYS HG2 H 1.516 0.02 2 1614 146 154 LYS HG3 H 1.419 0.02 2 1615 146 154 LYS C C 174.986 0.15 1 1616 146 154 LYS CA C 55.870 0.15 1 1617 146 154 LYS CB C 34.100 0.15 1 1618 146 154 LYS CD C 28.964 0.15 1 1619 146 154 LYS CE C 42.492 0.15 1 1620 146 154 LYS CG C 25.141 0.15 1 1621 146 154 LYS N N 129.176 0.15 1 1622 147 155 ILE H H 7.910 0.02 1 1623 147 155 ILE HA H 4.967 0.02 1 1624 147 155 ILE HB H 1.533 0.02 1 1625 147 155 ILE HD1 H -0.093 0.02 1 1626 147 155 ILE HG12 H 0.612 0.02 2 1627 147 155 ILE HG13 H 1.024 0.02 2 1628 147 155 ILE HG2 H 0.718 0.02 1 1629 147 155 ILE C C 175.401 0.15 1 1630 147 155 ILE CA C 60.428 0.15 1 1631 147 155 ILE CB C 40.872 0.15 1 1632 147 155 ILE CD1 C 13.405 0.15 1 1633 147 155 ILE CG1 C 28.595 0.15 1 1634 147 155 ILE CG2 C 18.908 0.15 1 1635 147 155 ILE N N 122.841 0.15 1 1636 148 156 THR H H 9.116 0.02 1 1637 148 156 THR HA H 5.004 0.02 1 1638 148 156 THR HB H 4.392 0.02 1 1639 148 156 THR HG2 H 0.690 0.02 1 1640 148 156 THR C C 173.292 0.15 1 1641 148 156 THR CA C 61.911 0.15 1 1642 148 156 THR CB C 69.707 0.15 1 1643 148 156 THR CG2 C 23.084 0.15 1 1644 148 156 THR N N 126.724 0.15 1 1645 149 157 VAL H H 8.848 0.02 1 1646 149 157 VAL HA H 5.067 0.02 1 1647 149 157 VAL HB H 1.527 0.02 1 1648 149 157 VAL HG1 H 0.836 0.02 2 1649 149 157 VAL HG2 H 0.478 0.02 2 1650 149 157 VAL C C 175.742 0.15 1 1651 149 157 VAL CA C 60.462 0.15 1 1652 149 157 VAL CB C 32.840 0.15 1 1653 149 157 VAL CG1 C 22.469 0.15 1 1654 149 157 VAL CG2 C 21.048 0.15 1 1655 149 157 VAL N N 127.879 0.15 1 1656 150 158 TYR H H 8.935 0.02 1 1657 150 158 TYR HA H 5.300 0.02 1 1658 150 158 TYR HB2 H 2.537 0.02 2 1659 150 158 TYR HB3 H 2.794 0.02 2 1660 150 158 TYR HD1 H 6.705 0.02 1 1661 150 158 TYR HD2 H 6.705 0.02 1 1662 150 158 TYR HE1 H 6.725 0.02 1 1663 150 158 TYR HE2 H 6.725 0.02 1 1664 150 158 TYR C C 177.439 0.15 1 1665 150 158 TYR CA C 57.328 0.15 1 1666 150 158 TYR CB C 40.572 0.15 1 1667 150 158 TYR CD1 C 132.706 0.15 1 1668 150 158 TYR CE1 C 118.229 0.15 1 1669 150 158 TYR N N 129.349 0.15 1 1670 151 159 THR H H 8.640 0.02 1 1671 151 159 THR HA H 4.471 0.02 1 1672 151 159 THR HB H 4.143 0.02 1 1673 151 159 THR HG2 H 1.176 0.02 1 1674 151 159 THR C C 172.976 0.15 1 1675 151 159 THR CA C 61.830 0.15 1 1676 151 159 THR CB C 71.359 0.15 1 1677 151 159 THR CG2 C 21.023 0.15 1 1678 151 159 THR N N 116.828 0.15 1 1679 152 160 LEU H H 8.014 0.02 1 1680 152 160 LEU HA H 4.254 0.02 1 1681 152 160 LEU HB2 H 1.615 0.02 2 1682 152 160 LEU HB3 H 1.615 0.02 2 1683 152 160 LEU HD2 H 0.920 0.02 2 1684 152 160 LEU C C 169.633 0.15 1 1685 152 160 LEU CA C 57.745 0.15 1 1686 152 160 LEU CB C 43.486 0.15 1 1687 152 160 LEU CD2 C 24.387 0.15 1 1688 152 160 LEU N N 129.643 0.15 1 stop_ save_